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type: datablock
references: doi:10.13018/BMSE000749
title: 21_hydroxypregnenolone
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doi:10.13018/BMSE000749
label: info:doi/10.13018/BMSE000749

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bmse000749,1
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assembly.name: 21-Hydroxypregnenolone
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assembly.paramagnetic: no
assembly.sf category: assembly
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assembly.thiol state: not reported

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atom nomenclature.atom id: H28
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000749
atom nomenclature.atom name: H39
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H28
atom nomenclature.naming system: ALATIS

H30,1,bmse000749
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000749
atom nomenclature.atom id: H30
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000749
atom nomenclature.atom name: H40
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H30
atom nomenclature.naming system: ALATIS

H29,1,bmse000749
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000749
atom nomenclature.atom id: H29
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000749
atom nomenclature.atom name: H41
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H29
atom nomenclature.naming system: ALATIS

H42,1,bmse000749
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000749
atom nomenclature.atom id: H42
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000749
atom nomenclature.atom name: H42
atom nomenclature.naming system: BMRB
atom nomenclature.naming system: ALATIS

H43,1,bmse000749
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000749
atom nomenclature.atom id: H43
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000749
atom nomenclature.atom name: H43
atom nomenclature.naming system: BMRB
atom nomenclature.naming system: ALATIS

H31,1,bmse000749
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000749
atom nomenclature.atom id: H31
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000749
atom nomenclature.atom name: H44
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H31
atom nomenclature.naming system: ALATIS

H27,1,bmse000749
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000749
atom nomenclature.atom id: H27
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000749
atom nomenclature.atom name: H45
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H27
atom nomenclature.naming system: ALATIS

H26,1,bmse000749
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000749
atom nomenclature.atom id: H26
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000749
atom nomenclature.atom name: H46
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H26
atom nomenclature.naming system: ALATIS

H25,1,bmse000749
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000749
atom nomenclature.atom id: H25
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000749
atom nomenclature.atom name: H47
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H25
atom nomenclature.naming system: ALATIS

H46,1,bmse000749
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000749
atom nomenclature.atom id: H46
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000749
atom nomenclature.atom name: H48
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H46
atom nomenclature.naming system: ALATIS

H47,1,bmse000749
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000749
atom nomenclature.atom id: H47
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000749
atom nomenclature.atom name: H49
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H47
atom nomenclature.naming system: ALATIS

H38,1,bmse000749
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000749
atom nomenclature.atom id: H38
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000749
atom nomenclature.atom name: H50
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H38
atom nomenclature.naming system: ALATIS

H39,1,bmse000749
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000749
atom nomenclature.atom id: H39
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000749
atom nomenclature.atom name: H51
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H39
atom nomenclature.naming system: ALATIS

H50,1,bmse000749
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000749
atom nomenclature.atom id: H50
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000749
atom nomenclature.atom name: H52
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H50
atom nomenclature.naming system: ALATIS

H48,1,bmse000749
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000749
atom nomenclature.atom id: H48
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000749
atom nomenclature.atom name: H53
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H48
atom nomenclature.naming system: ALATIS

H49,1,bmse000749
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000749
atom nomenclature.atom id: H49
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000749
atom nomenclature.atom name: H54
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H49
atom nomenclature.naming system: ALATIS

H56,1,bmse000749
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000749
atom nomenclature.atom id: H56
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000749
atom nomenclature.atom name: H55
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H56
atom nomenclature.naming system: ALATIS

H55,1,bmse000749
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000749
atom nomenclature.atom id: H55
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000749
atom nomenclature.atom name: H56
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H55
atom nomenclature.naming system: ALATIS

bmse000749,1
type: chem comp
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp.entry id: bmse000749
chem comp.id: 1
chem comp.aromatic: no
chem comp.bmrb code: bmse000749
chem comp.formula: C21 H32 O3
chem comp.formula mono iso wt 13c: 353.3056
chem comp.formula mono iso wt 13c 15n: 353.3056
chem comp.formula mono iso wt 15n: 332.2351
chem comp.formula mono iso wt nat: 332.2351
chem comp.formula weight: 332.4770
chem comp.image file format: png
chem comp.image file name: bmse000749.png
chem comp.inchi code: InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3,14-18,22-23H,4-12H2,1-2H3/t14-,15-,16+,17-,18+,20-,21+/m1/s1
chem comp.name: 21-Hydroxypregnenolone
chem comp.paramagnetic: no
chem comp.provenance: PubChem
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_1
chem comp.struct file format: mol
chem comp.struct file name: bmse000749.mol
chem comp.type: NON-POLYMER

O23,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: O23
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 2.5357
chem comp atom.drawing 2d coord y: -2.7732
chem comp atom.pdbx ordinal: 1
chem comp atom.type symbol: O

O24,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: O24
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 8.5179
chem comp atom.drawing 2d coord y: 2.2787
chem comp atom.pdbx ordinal: 2
chem comp atom.type symbol: O

O22,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: O22
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 10.4749
chem comp atom.drawing 2d coord y: 2.6912
chem comp atom.pdbx ordinal: 3
chem comp atom.type symbol: O

C21,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: C21
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 7.9288
chem comp atom.drawing 2d coord y: 0.2792
chem comp atom.pdbx ordinal: 4
chem comp atom.type symbol: C

C16,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: C16
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 7.9288
chem comp atom.drawing 2d coord y: -0.7208
chem comp atom.pdbx ordinal: 5
chem comp atom.type symbol: C

C15,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: C15
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 7.0628
chem comp atom.drawing 2d coord y: -1.2208
chem comp atom.pdbx ordinal: 6
chem comp atom.type symbol: C

C17,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: C17
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 6.1968
chem comp atom.drawing 2d coord y: -0.7208
chem comp atom.pdbx ordinal: 7
chem comp atom.type symbol: C

C20,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: C20
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 5.2868
chem comp atom.drawing 2d coord y: -1.2277
chem comp atom.pdbx ordinal: 8
chem comp atom.type symbol: C

C18,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: C18
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 8.8750
chem comp atom.drawing 2d coord y: 0.5839
chem comp atom.pdbx ordinal: 9
chem comp atom.type symbol: C

C10,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: C10
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 7.0628
chem comp atom.drawing 2d coord y: 0.7792
chem comp atom.pdbx ordinal: 10
chem comp atom.type symbol: C

C8,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: C8
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 6.1968
chem comp atom.drawing 2d coord y: 0.2792
chem comp atom.pdbx ordinal: 11
chem comp atom.type symbol: C

C5,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: C5
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 8.8750
chem comp atom.drawing 2d coord y: -1.0256
chem comp atom.pdbx ordinal: 12
chem comp atom.type symbol: C

C6,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: C6
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 9.4586
chem comp atom.drawing 2d coord y: -0.2208
chem comp atom.pdbx ordinal: 13
chem comp atom.type symbol: C

C4,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: C4
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 7.0789
chem comp atom.drawing 2d coord y: -2.2624
chem comp atom.pdbx ordinal: 14
chem comp atom.type symbol: C

C13,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: C13
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 5.2787
chem comp atom.drawing 2d coord y: -2.2693
chem comp atom.pdbx ordinal: 15
chem comp atom.type symbol: C

C2,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: C2
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 7.9288
chem comp atom.drawing 2d coord y: 1.2792
chem comp atom.pdbx ordinal: 16
chem comp atom.type symbol: C

C9,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: C9
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 4.3599
chem comp atom.drawing 2d coord y: -0.6636
chem comp atom.pdbx ordinal: 17
chem comp atom.type symbol: C

C3,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: C3
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 6.1808
chem comp atom.drawing 2d coord y: -2.7901
chem comp atom.pdbx ordinal: 18
chem comp atom.type symbol: C

C1,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: C1
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 5.2945
chem comp atom.drawing 2d coord y: -0.2277
chem comp atom.pdbx ordinal: 19
chem comp atom.type symbol: C

C11,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: C11
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 4.3433
chem comp atom.drawing 2d coord y: -2.8190
chem comp atom.pdbx ordinal: 20
chem comp atom.type symbol: C

C19,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: C19
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 9.1857
chem comp atom.drawing 2d coord y: 1.5344
chem comp atom.pdbx ordinal: 21
chem comp atom.type symbol: C

C7,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: C7
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 3.4120
chem comp atom.drawing 2d coord y: -1.1916
chem comp atom.pdbx ordinal: 22
chem comp atom.type symbol: C

C14,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: C14
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 3.4037
chem comp atom.drawing 2d coord y: -2.2765
chem comp atom.pdbx ordinal: 23
chem comp atom.type symbol: C

C12,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: C12
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 10.1642
chem comp atom.drawing 2d coord y: 1.7406
chem comp atom.pdbx ordinal: 24
chem comp atom.type symbol: C

H52,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H52
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 7.9944
chem comp atom.drawing 2d coord y: -1.3374
chem comp atom.pdbx ordinal: 25
chem comp atom.type symbol: H

H51,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H51
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 7.6021
chem comp atom.drawing 2d coord y: -1.5267
chem comp atom.pdbx ordinal: 26
chem comp atom.type symbol: H

H53,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H53
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 6.7337
chem comp atom.drawing 2d coord y: -0.4108
chem comp atom.pdbx ordinal: 27
chem comp atom.type symbol: H

H54,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H54
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 9.4875
chem comp atom.drawing 2d coord y: 0.6801
chem comp atom.pdbx ordinal: 28
chem comp atom.type symbol: H

H44,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H44
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 7.4613
chem comp atom.drawing 2d coord y: 1.2541
chem comp atom.pdbx ordinal: 29
chem comp atom.type symbol: H

H45,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H45
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 6.6643
chem comp atom.drawing 2d coord y: 1.2541
chem comp atom.pdbx ordinal: 30
chem comp atom.type symbol: H

H40,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H40
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 5.9847
chem comp atom.drawing 2d coord y: 0.8618
chem comp atom.pdbx ordinal: 31
chem comp atom.type symbol: H

H41,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H41
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 5.5862
chem comp atom.drawing 2d coord y: 0.1715
chem comp atom.pdbx ordinal: 32
chem comp atom.type symbol: H

H34,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H34
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 8.6240
chem comp atom.drawing 2d coord y: -1.5925
chem comp atom.pdbx ordinal: 33
chem comp atom.type symbol: H

H35,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H35
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 9.4124
chem comp atom.drawing 2d coord y: -1.3348
chem comp atom.pdbx ordinal: 34
chem comp atom.type symbol: H

H36,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H36
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 9.9195
chem comp atom.drawing 2d coord y: -0.6356
chem comp atom.pdbx ordinal: 35
chem comp atom.type symbol: H

H37,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H37
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 9.9195
chem comp atom.drawing 2d coord y: 0.1939
chem comp atom.pdbx ordinal: 36
chem comp atom.type symbol: H

H32,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H32
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 7.2969
chem comp atom.drawing 2d coord y: -2.8427
chem comp atom.pdbx ordinal: 37
chem comp atom.type symbol: H

H33,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H33
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 7.6880
chem comp atom.drawing 2d coord y: -2.1468
chem comp atom.pdbx ordinal: 38
chem comp atom.type symbol: H

H28,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H28
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 8.5488
chem comp atom.drawing 2d coord y: 1.2792
chem comp atom.pdbx ordinal: 39
chem comp atom.type symbol: H

H30,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H30
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 7.9288
chem comp atom.drawing 2d coord y: 1.8992
chem comp atom.pdbx ordinal: 40
chem comp atom.type symbol: H

H29,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H29
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 7.3088
chem comp atom.drawing 2d coord y: 1.2792
chem comp atom.pdbx ordinal: 41
chem comp atom.type symbol: H

H42,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H42
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 4.7681
chem comp atom.drawing 2d coord y: -0.1969
chem comp atom.pdbx ordinal: 42
chem comp atom.type symbol: H

H43,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H43
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 3.9700
chem comp atom.drawing 2d coord y: -0.1816
chem comp atom.pdbx ordinal: 43
chem comp atom.type symbol: H

H31,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H31
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 6.1832
chem comp atom.drawing 2d coord y: -3.4101
chem comp atom.pdbx ordinal: 44
chem comp atom.type symbol: H

H27,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H27
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 5.9145
chem comp atom.drawing 2d coord y: -0.2325
chem comp atom.pdbx ordinal: 45
chem comp atom.type symbol: H

H26,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H26
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 5.2993
chem comp atom.drawing 2d coord y: 0.3923
chem comp atom.pdbx ordinal: 46
chem comp atom.type symbol: H

H25,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H25
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 4.6745
chem comp atom.drawing 2d coord y: -0.2229
chem comp atom.pdbx ordinal: 47
chem comp atom.type symbol: H

H46,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H46
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 3.9460
chem comp atom.drawing 2d coord y: -3.2950
chem comp atom.pdbx ordinal: 48
chem comp atom.type symbol: H

H47,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H47
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 4.7443
chem comp atom.drawing 2d coord y: -3.2919
chem comp atom.pdbx ordinal: 49
chem comp atom.type symbol: H

H38,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H38
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 3.2075
chem comp atom.drawing 2d coord y: -0.6063
chem comp atom.pdbx ordinal: 50
chem comp atom.type symbol: H

H39,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H39
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 2.8004
chem comp atom.drawing 2d coord y: -1.2929
chem comp atom.pdbx ordinal: 51
chem comp atom.type symbol: H

H50,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H50
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 2.8686
chem comp atom.drawing 2d coord y: -1.9634
chem comp atom.pdbx ordinal: 52
chem comp atom.type symbol: H

H48,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H48
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 10.1848
chem comp atom.drawing 2d coord y: 1.1210
chem comp atom.pdbx ordinal: 53
chem comp atom.type symbol: H

H49,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H49
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 10.7780
chem comp atom.drawing 2d coord y: 1.6533
chem comp atom.pdbx ordinal: 54
chem comp atom.type symbol: H

H56,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H56
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 2.0000
chem comp atom.drawing 2d coord y: -2.4611
chem comp atom.pdbx ordinal: 55
chem comp atom.type symbol: H

H55,1,bmse000749
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
chem comp atom.atom id: H55
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000749
chem comp atom.drawing 2d coord x: 11.0815
chem comp atom.drawing 2d coord y: 2.8190
chem comp atom.pdbx ordinal: 56
chem comp atom.type symbol: H

1,bmse000749,1
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 1
chem comp bond.atom id 1: O23
chem comp bond.atom id 2: C14
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,2
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 2
chem comp bond.atom id 1: O23
chem comp bond.atom id 2: H56
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,3
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 3
chem comp bond.atom id 1: O24
chem comp bond.atom id 2: C19
chem comp bond.type: covalent
chem comp bond.value order: DOUB

1,bmse000749,4
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 4
chem comp bond.atom id 1: O22
chem comp bond.atom id 2: C12
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,5
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 5
chem comp bond.atom id 1: O22
chem comp bond.atom id 2: H55
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,6
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 6
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C16
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,7
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 7
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C18
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,8
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 8
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C10
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,9
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 9
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C2
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,10
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 10
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: C15
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,11
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 11
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: C5
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,12
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 12
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H52
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,13
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 13
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: C17
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,14
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 14
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: C4
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,15
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 15
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H51
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,16
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 16
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: C20
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,17
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 17
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: C8
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,18
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 18
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: H53
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,19
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 19
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: C13
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,20
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 20
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: C9
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,21
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 21
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: C1
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,22
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 22
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C6
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,23
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 23
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C19
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,24
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 24
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H54
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,25
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 25
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C8
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,26
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 26
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H44
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,27
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 27
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H45
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,28
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 28
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H40
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,29
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 29
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H41
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,30
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 30
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,31
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 31
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H34
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,32
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 32
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H35
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,33
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 33
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H36
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,34
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 34
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H37
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,35
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 35
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C3
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,36
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 36
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H32
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,37
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 37
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H33
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,38
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 38
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C3
chem comp bond.type: covalent
chem comp bond.value order: DOUB

1,bmse000749,39
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 39
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C11
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,40
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 40
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H28
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,41
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 41
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H30
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,42
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 42
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H29
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,43
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 43
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: C7
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,44
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 44
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H42
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,45
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 45
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H43
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,46
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 46
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H31
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,47
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 47
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H27
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,48
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 48
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H26
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,49
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 49
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H25
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,50
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 50
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: C14
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,51
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 51
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H46
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,52
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 52
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H47
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,53
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000749
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000749
chem comp bond.id: 53
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: C12
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000749,54
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bmse000749,assigned chemical shifts
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bmse000749,1H chemical shifts
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bmse000749,1
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entity.ambiguous conformational states: no
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entity.nstd monomer: no
entity.paramagnetic: no
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bmse000749
type: entry
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entry.id: bmse000749
entry.type: metabolite/natural product
entry.accession date: 2010-06-22Z
entry.bmrb internal directory name: 21_hydroxypregnenolone
entry.doi: 10.13018/BMSE000749
entry.experimental method: NMR
entry.experimental method subtype: solution
entry.last release date: 2012-10-16Z
entry.nmr star version: 3.1.1.21
entry.original nmr star version: 3.1
entry.original release date: 2010-06-22Z
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entry.submission date: 2010-06-21Z
entry.title: 21_hydroxypregnenolone
entry.version type: update

doi:10.13018/BMSE000749

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3,13C
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4,DEPT 90
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6,1H 13C HSQC
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bmse000749,1
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bmse000749,1
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bmse000749,1
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release.entry id: bmse000749
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bmse000749,2
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release.entry id: bmse000749
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bmse000749,3
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release.entry id: bmse000749
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bmse000749,4
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release.entry id: bmse000749
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bmse000749,5
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release.entry id: bmse000749
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bmse000749,6
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bmse000749,10
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release.type: update

bmse000749,11
type: release
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
release.entry id: bmse000749
release.release number: 11
release.author: BMRB
release.date: 2012-10-16Z
release.detail: Set all _Chem_comp_SMILES Types to lower case
release.submission date: 2010-06-21Z
release.type: update

bmse000749,12
type: release
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
release.entry id: bmse000749
release.release number: 12
release.author: BMRB
release.date: 2017-10-11Z
release.detail: Remediated Experiment_file loop if present and standardized mol and png file tags.
release.submission date: 2017-10-11Z
release.type: update

bmse000749,13
type: release
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
release.entry id: bmse000749
release.release number: 13
release.author: BMRB
release.date: 2017-12-18Z
release.detail: InChI numbering updated according to ALATIS
release.submission date: 2017-10-11Z
release.type: update

bmse000749,1
type: sample
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
sample.entry id: bmse000749
sample.id: 1
sample.crystal grow method cit id: 0
sample.crystal grow seeding cit id: 0
sample.sf category: sample
sample.sf framecode: sample_1
sample.type: solution

bmse000749,1,1
type: sample component
of datablock: info:bmrb.metabolomics/bmse000749
sample component.entry id: bmse000749
sample component.id: 1
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 100
sample component.concentration val units: mM
sample component.entity id: 1
sample component.entity label: 21-Hydroxypregnenolone
sample component.isotopic labeling: natural abundance
sample component.mol common name: 21-Hydroxypregnenolone
sample component.type: Solute
sample component.vendor: sigma/aldrich
sample component.vendor product name: 21-Hydroxypregnenolone

bmse000749,2,1
type: sample component
of datablock: info:bmrb.metabolomics/bmse000749
sample component.entry id: bmse000749
sample component.id: 2
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 100
sample component.concentration val units: %
sample component.entity id: 0
sample component.mol common name: CDCl3
sample component.type: Solvent

bmse000749,3,1
type: sample component
of datablock: info:bmrb.metabolomics/bmse000749
sample component.entry id: bmse000749
sample component.id: 3
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 1
sample component.concentration val units: %
sample component.entity id: 0
sample component.mol common name: TMS
sample component.type: Reference

bmse000749,1
type: sample condition list
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
sample condition list.entry id: bmse000749
sample condition list.id: 1
sample condition list.sf category: sample_conditions
sample condition list.sf framecode: sample_conditions_1

bmse000749,1,pH
type: sample condition variable
of datablock: info:bmrb.metabolomics/bmse000749
sample condition variable.entry id: bmse000749
sample condition variable.sample condition list id: 1
sample condition variable.type: pH
sample condition variable.val: n/a
sample condition variable.val units: pH

bmse000749,1,temperature
type: sample condition variable
of datablock: info:bmrb.metabolomics/bmse000749
sample condition variable.entry id: bmse000749
sample condition variable.sample condition list id: 1
sample condition variable.type: temperature
sample condition variable.val: 298
sample condition variable.val units: K

bmse000749,1
type: software
of datablock: info:bmrb.metabolomics/bmse000749
reference to entry: entry
software.entry id: bmse000749
software.id: 1
software.name: TopSpin
software.sf category: software
software.sf framecode: software_1
software.version: 2.1

H,bmse000749,1,1,Full H
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000749
spectral dim.atom type: H
spectral dim.entry id: bmse000749
spectral dim.id: 1
spectral dim.spectral peak list id: 1
spectral dim.spectral region: Full H
spectral dim.atom isotope number: 1
spectral dim.sweep width: 6493.506

C,bmse000749,2,2,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000749
spectral dim.atom type: C
spectral dim.entry id: bmse000749
spectral dim.id: 2
spectral dim.spectral peak list id: 2
spectral dim.spectral region: Full C
spectral dim.atom isotope number: 13
spectral dim.sweep width: 29761.90

C,bmse000749,3,3,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000749
spectral dim.atom type: C
spectral dim.entry id: bmse000749
spectral dim.id: 3
spectral dim.spectral peak list id: 3
spectral dim.spectral region: Full C
spectral dim.atom isotope number: 13
spectral dim.sweep width: 29761.90

C,bmse000749,4,4,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000749
spectral dim.atom type: C
spectral dim.entry id: bmse000749
spectral dim.id: 4
spectral dim.spectral peak list id: 4
spectral dim.spectral region: Full C
spectral dim.atom isotope number: 13
spectral dim.sweep width: 29761.90

H,bmse000749,5,5,Full H
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000749
spectral dim.atom type: H
spectral dim.entry id: bmse000749
spectral dim.id: 5
spectral dim.spectral peak list id: 5
spectral dim.spectral region: Full H
spectral dim.atom isotope number: 1
spectral dim.sweep width: 6493.506

C,bmse000749,6,5,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000749
spectral dim.atom type: C
spectral dim.entry id: bmse000749
spectral dim.id: 6
spectral dim.spectral peak list id: 5
spectral dim.spectral region: Full C
spectral dim.atom isotope number: 13
spectral dim.sweep width: 18854.05

H,bmse000749,7,6,Full H
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000749
spectral dim.atom type: H
spectral dim.entry id: bmse000749
spectral dim.id: 7
spectral dim.spectral peak list id: 6
spectral dim.spectral region: Full H
spectral dim.atom isotope number: 1
spectral dim.sweep width: 6493.506

C,bmse000749,8,6,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000749
spectral dim.atom type: C
spectral dim.entry id: bmse000749
spectral dim.id: 8
spectral dim.spectral peak list id: 6
spectral dim.spectral region: Full C
spectral dim.atom isotope number: 13
spectral dim.sweep width: 29664.60

bmse000749,1,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 1
spectral transition.spectral peak list id: 1

bmse000749,2,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 2
spectral transition.spectral peak list id: 1

bmse000749,3,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 3
spectral transition.spectral peak list id: 1

bmse000749,4,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 4
spectral transition.spectral peak list id: 1

bmse000749,5,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 5
spectral transition.spectral peak list id: 1

bmse000749,6,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 6
spectral transition.spectral peak list id: 1

bmse000749,7,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 7
spectral transition.spectral peak list id: 1

bmse000749,8,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 8
spectral transition.spectral peak list id: 1

bmse000749,9,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 9
spectral transition.spectral peak list id: 1

bmse000749,10,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 10
spectral transition.spectral peak list id: 1

bmse000749,11,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 11
spectral transition.spectral peak list id: 1

bmse000749,12,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 12
spectral transition.spectral peak list id: 1

bmse000749,13,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 13
spectral transition.spectral peak list id: 1

bmse000749,14,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 14
spectral transition.spectral peak list id: 1

bmse000749,15,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 15
spectral transition.spectral peak list id: 1

bmse000749,16,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 16
spectral transition.spectral peak list id: 1

bmse000749,17,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 17
spectral transition.spectral peak list id: 1

bmse000749,18,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 18
spectral transition.spectral peak list id: 1

bmse000749,19,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 19
spectral transition.spectral peak list id: 1

bmse000749,20,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 20
spectral transition.spectral peak list id: 1

bmse000749,21,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 21
spectral transition.spectral peak list id: 1

bmse000749,22,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 22
spectral transition.spectral peak list id: 1

bmse000749,23,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 23
spectral transition.spectral peak list id: 1

bmse000749,24,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 24
spectral transition.spectral peak list id: 1

bmse000749,25,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 25
spectral transition.spectral peak list id: 1

bmse000749,26,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 26
spectral transition.spectral peak list id: 1

bmse000749,27,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 27
spectral transition.spectral peak list id: 1

bmse000749,28,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 28
spectral transition.spectral peak list id: 1

bmse000749,29,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 29
spectral transition.spectral peak list id: 1

bmse000749,30,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 30
spectral transition.spectral peak list id: 1

bmse000749,31,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 31
spectral transition.spectral peak list id: 1

bmse000749,32,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 32
spectral transition.spectral peak list id: 1

bmse000749,33,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 33
spectral transition.spectral peak list id: 1

bmse000749,34,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 34
spectral transition.spectral peak list id: 1

bmse000749,35,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 35
spectral transition.spectral peak list id: 1

bmse000749,36,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 36
spectral transition.spectral peak list id: 1

bmse000749,37,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 37
spectral transition.spectral peak list id: 1

bmse000749,38,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 38
spectral transition.spectral peak list id: 1

bmse000749,39,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 39
spectral transition.spectral peak list id: 1

bmse000749,40,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 40
spectral transition.spectral peak list id: 1

bmse000749,41,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 41
spectral transition.spectral peak list id: 1

bmse000749,42,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 42
spectral transition.spectral peak list id: 1

bmse000749,43,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 43
spectral transition.spectral peak list id: 1

bmse000749,44,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 44
spectral transition.spectral peak list id: 1

bmse000749,45,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 45
spectral transition.spectral peak list id: 1

bmse000749,46,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 46
spectral transition.spectral peak list id: 1

bmse000749,47,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 47
spectral transition.spectral peak list id: 1

bmse000749,48,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 48
spectral transition.spectral peak list id: 1

bmse000749,49,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 49
spectral transition.spectral peak list id: 1

bmse000749,50,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 50
spectral transition.spectral peak list id: 1

bmse000749,51,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 51
spectral transition.spectral peak list id: 1

bmse000749,52,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 52
spectral transition.spectral peak list id: 1

bmse000749,53,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 53
spectral transition.spectral peak list id: 1

bmse000749,54,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 54
spectral transition.spectral peak list id: 1

bmse000749,55,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 55
spectral transition.spectral peak list id: 1

bmse000749,56,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 56
spectral transition.spectral peak list id: 1

bmse000749,57,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 57
spectral transition.spectral peak list id: 1

bmse000749,58,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 58
spectral transition.spectral peak list id: 1

bmse000749,59,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 59
spectral transition.spectral peak list id: 1

bmse000749,60,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 60
spectral transition.spectral peak list id: 1

bmse000749,61,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 61
spectral transition.spectral peak list id: 1

bmse000749,62,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 62
spectral transition.spectral peak list id: 1

bmse000749,63,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 63
spectral transition.spectral peak list id: 1

bmse000749,64,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 64
spectral transition.spectral peak list id: 1

bmse000749,65,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
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spectral transition.spectral peak list id: 1

bmse000749,66,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 66
spectral transition.spectral peak list id: 1

bmse000749,67,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 67
spectral transition.spectral peak list id: 1

bmse000749,68,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 68
spectral transition.spectral peak list id: 1

bmse000749,69,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 69
spectral transition.spectral peak list id: 1

bmse000749,70,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 70
spectral transition.spectral peak list id: 1

bmse000749,71,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 71
spectral transition.spectral peak list id: 1

bmse000749,72,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 72
spectral transition.spectral peak list id: 1

bmse000749,73,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 73
spectral transition.spectral peak list id: 1

bmse000749,74,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 74
spectral transition.spectral peak list id: 1

bmse000749,75,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 75
spectral transition.spectral peak list id: 1

bmse000749,76,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 76
spectral transition.spectral peak list id: 1

bmse000749,77,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 77
spectral transition.spectral peak list id: 1

bmse000749,78,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 78
spectral transition.spectral peak list id: 1

bmse000749,79,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 79
spectral transition.spectral peak list id: 1

bmse000749,80,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 80
spectral transition.spectral peak list id: 1

bmse000749,81,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 81
spectral transition.spectral peak list id: 1

bmse000749,82,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 82
spectral transition.spectral peak list id: 1

bmse000749,83,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 83
spectral transition.spectral peak list id: 1

bmse000749,84,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 84
spectral transition.spectral peak list id: 1

bmse000749,85,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 85
spectral transition.spectral peak list id: 1

bmse000749,86,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 86
spectral transition.spectral peak list id: 1

bmse000749,87,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 87
spectral transition.spectral peak list id: 1

bmse000749,88,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 88
spectral transition.spectral peak list id: 1

bmse000749,89,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 89
spectral transition.spectral peak list id: 1

bmse000749,90,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 90
spectral transition.spectral peak list id: 1

bmse000749,91,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 91
spectral transition.spectral peak list id: 1

bmse000749,92,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 92
spectral transition.spectral peak list id: 1

bmse000749,93,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 93
spectral transition.spectral peak list id: 1

bmse000749,94,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 94
spectral transition.spectral peak list id: 1

bmse000749,95,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 95
spectral transition.spectral peak list id: 1

bmse000749,96,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 96
spectral transition.spectral peak list id: 1

bmse000749,97,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 97
spectral transition.spectral peak list id: 1

bmse000749,98,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 98
spectral transition.spectral peak list id: 1

bmse000749,99,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 99
spectral transition.spectral peak list id: 1

bmse000749,100,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 100
spectral transition.spectral peak list id: 1

bmse000749,101,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 101
spectral transition.spectral peak list id: 1

bmse000749,102,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 102
spectral transition.spectral peak list id: 1

bmse000749,103,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 103
spectral transition.spectral peak list id: 1

bmse000749,104,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 104
spectral transition.spectral peak list id: 1

bmse000749,105,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 105
spectral transition.spectral peak list id: 1

bmse000749,106,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 106
spectral transition.spectral peak list id: 1

bmse000749,107,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 107
spectral transition.spectral peak list id: 1

bmse000749,108,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 108
spectral transition.spectral peak list id: 1

bmse000749,109,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 109
spectral transition.spectral peak list id: 1

bmse000749,110,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 110
spectral transition.spectral peak list id: 1

bmse000749,111,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 111
spectral transition.spectral peak list id: 1

bmse000749,112,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 112
spectral transition.spectral peak list id: 1

bmse000749,113,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 113
spectral transition.spectral peak list id: 1

bmse000749,114,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 114
spectral transition.spectral peak list id: 1

bmse000749,115,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 115
spectral transition.spectral peak list id: 1

bmse000749,116,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 116
spectral transition.spectral peak list id: 1

bmse000749,117,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 117
spectral transition.spectral peak list id: 1

bmse000749,118,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 118
spectral transition.spectral peak list id: 1

bmse000749,119,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 119
spectral transition.spectral peak list id: 1

bmse000749,120,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 120
spectral transition.spectral peak list id: 2

bmse000749,121,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 121
spectral transition.spectral peak list id: 2

bmse000749,122,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 122
spectral transition.spectral peak list id: 2

bmse000749,123,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 123
spectral transition.spectral peak list id: 2

bmse000749,124,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 124
spectral transition.spectral peak list id: 2

bmse000749,125,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 125
spectral transition.spectral peak list id: 2

bmse000749,126,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 126
spectral transition.spectral peak list id: 2

bmse000749,127,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 127
spectral transition.spectral peak list id: 2

bmse000749,128,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 128
spectral transition.spectral peak list id: 2

bmse000749,129,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 129
spectral transition.spectral peak list id: 2

bmse000749,130,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 130
spectral transition.spectral peak list id: 2

bmse000749,131,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 131
spectral transition.spectral peak list id: 2

bmse000749,132,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 132
spectral transition.spectral peak list id: 2

bmse000749,133,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 133
spectral transition.spectral peak list id: 2

bmse000749,134,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 134
spectral transition.spectral peak list id: 2

bmse000749,135,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 135
spectral transition.spectral peak list id: 2

bmse000749,136,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 136
spectral transition.spectral peak list id: 2

bmse000749,137,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 137
spectral transition.spectral peak list id: 2

bmse000749,138,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 138
spectral transition.spectral peak list id: 2

bmse000749,139,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 139
spectral transition.spectral peak list id: 2

bmse000749,140,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition.entry id: bmse000749
spectral transition.id: 140
spectral transition.spectral peak list id: 2

bmse000749,1,1,1
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 1
spectral transition char.chem shift val: 5.3557

bmse000749,1,1,2
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 2
spectral transition char.chem shift val: 5.3514

bmse000749,1,1,3
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 3
spectral transition char.chem shift val: 5.3452

bmse000749,1,1,4
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 4
spectral transition char.chem shift val: 4.2478

bmse000749,1,1,5
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 5
spectral transition char.chem shift val: 4.2099

bmse000749,1,1,6
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 6
spectral transition char.chem shift val: 4.1819

bmse000749,1,1,7
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 7
spectral transition char.chem shift val: 4.1441

bmse000749,1,1,8
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 8
spectral transition char.chem shift val: 3.5577

bmse000749,1,1,9
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 9
spectral transition char.chem shift val: 3.5486

bmse000749,1,1,10
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 10
spectral transition char.chem shift val: 3.5393

bmse000749,1,1,11
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 11
spectral transition char.chem shift val: 3.5353

bmse000749,1,1,12
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 12
spectral transition char.chem shift val: 3.5260

bmse000749,1,1,13
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 13
spectral transition char.chem shift val: 3.5171

bmse000749,1,1,14
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 14
spectral transition char.chem shift val: 3.5131

bmse000749,1,1,15
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 15
spectral transition char.chem shift val: 3.5033

bmse000749,1,1,16
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 16
spectral transition char.chem shift val: 3.4947

bmse000749,1,1,17
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 17
spectral transition char.chem shift val: 2.4819

bmse000749,1,1,18
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 18
spectral transition char.chem shift val: 2.4640

bmse000749,1,1,19
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 19
spectral transition char.chem shift val: 2.4458

bmse000749,1,1,20
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 20
spectral transition char.chem shift val: 2.3233

bmse000749,1,1,21
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 21
spectral transition char.chem shift val: 2.3172

bmse000749,1,1,22
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 22
spectral transition char.chem shift val: 2.3129

bmse000749,1,1,23
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 23
spectral transition char.chem shift val: 2.2973

bmse000749,1,1,24
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 24
spectral transition char.chem shift val: 2.2911

bmse000749,1,1,25
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 25
spectral transition char.chem shift val: 2.2869

bmse000749,1,1,26
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 26
spectral transition char.chem shift val: 2.2599

bmse000749,1,1,27
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 27
spectral transition char.chem shift val: 2.2514

bmse000749,1,1,28
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 28
spectral transition char.chem shift val: 2.2349

bmse000749,1,1,29
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 29
spectral transition char.chem shift val: 2.2182

bmse000749,1,1,30
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 30
spectral transition char.chem shift val: 2.2076

bmse000749,1,1,31
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 31
spectral transition char.chem shift val: 2.1965

bmse000749,1,1,32
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 32
spectral transition char.chem shift val: 2.0408

bmse000749,1,1,33
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 33
spectral transition char.chem shift val: 2.0308

bmse000749,1,1,34
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 34
spectral transition char.chem shift val: 2.0254

bmse000749,1,1,35
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 35
spectral transition char.chem shift val: 2.0207

bmse000749,1,1,36
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 36
spectral transition char.chem shift val: 2.0151

bmse000749,1,1,37
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 37
spectral transition char.chem shift val: 2.0065

bmse000749,1,1,38
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 38
spectral transition char.chem shift val: 2.0011

bmse000749,1,1,39
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 39
spectral transition char.chem shift val: 1.9964

bmse000749,1,1,40
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 40
spectral transition char.chem shift val: 1.9912

bmse000749,1,1,41
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 41
spectral transition char.chem shift val: 1.9866

bmse000749,1,1,42
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 42
spectral transition char.chem shift val: 1.9815

bmse000749,1,1,43
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 43
spectral transition char.chem shift val: 1.9398

bmse000749,1,1,44
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 44
spectral transition char.chem shift val: 1.9335

bmse000749,1,1,45
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 45
spectral transition char.chem shift val: 1.9270

bmse000749,1,1,46
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 46
spectral transition char.chem shift val: 1.9164

bmse000749,1,1,47
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 47
spectral transition char.chem shift val: 1.9102

bmse000749,1,1,48
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 48
spectral transition char.chem shift val: 1.9031

bmse000749,1,1,49
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 49
spectral transition char.chem shift val: 1.8734

bmse000749,1,1,50
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 50
spectral transition char.chem shift val: 1.8669

bmse000749,1,1,51
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 51
spectral transition char.chem shift val: 1.8606

bmse000749,1,1,52
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 52
spectral transition char.chem shift val: 1.8411

bmse000749,1,1,53
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 53
spectral transition char.chem shift val: 1.8325

bmse000749,1,1,54
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 54
spectral transition char.chem shift val: 1.7950

bmse000749,1,1,55
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 55
spectral transition char.chem shift val: 1.7817

bmse000749,1,1,56
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 56
spectral transition char.chem shift val: 1.7761

bmse000749,1,1,57
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 57
spectral transition char.chem shift val: 1.7664

bmse000749,1,1,58
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 58
spectral transition char.chem shift val: 1.7584

bmse000749,1,1,59
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 59
spectral transition char.chem shift val: 1.7502

bmse000749,1,1,60
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 60
spectral transition char.chem shift val: 1.7409

bmse000749,1,1,61
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 61
spectral transition char.chem shift val: 1.7321

bmse000749,1,1,62
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 62
spectral transition char.chem shift val: 1.7129

bmse000749,1,1,63
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 63
spectral transition char.chem shift val: 1.6506

bmse000749,1,1,64
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 64
spectral transition char.chem shift val: 1.6422

bmse000749,1,1,65
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 65
spectral transition char.chem shift val: 1.6340

bmse000749,1,1,66
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 66
spectral transition char.chem shift val: 1.6270

bmse000749,1,1,67
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 67
spectral transition char.chem shift val: 1.6231

bmse000749,1,1,68
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 68
spectral transition char.chem shift val: 1.6144

bmse000749,1,1,69
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 69
spectral transition char.chem shift val: 1.6087

bmse000749,1,1,70
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 70
spectral transition char.chem shift val: 1.5883

bmse000749,1,1,71
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 71
spectral transition char.chem shift val: 1.5823

bmse000749,1,1,72
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 72
spectral transition char.chem shift val: 1.5775

bmse000749,1,1,73
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 73
spectral transition char.chem shift val: 1.5704

bmse000749,1,1,74
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 74
spectral transition char.chem shift val: 1.5537

bmse000749,1,1,75
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 75
spectral transition char.chem shift val: 1.5481

bmse000749,1,1,76
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 76
spectral transition char.chem shift val: 1.5408

bmse000749,1,1,77
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 77
spectral transition char.chem shift val: 1.5315

bmse000749,1,1,78
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 78
spectral transition char.chem shift val: 1.5276

bmse000749,1,1,79
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 79
spectral transition char.chem shift val: 1.5194

bmse000749,1,1,80
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 80
spectral transition char.chem shift val: 1.5108

bmse000749,1,1,81
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 81
spectral transition char.chem shift val: 1.4986

bmse000749,1,1,82
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 82
spectral transition char.chem shift val: 1.4892

bmse000749,1,1,83
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 83
spectral transition char.chem shift val: 1.4776

bmse000749,1,1,84
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 84
spectral transition char.chem shift val: 1.4665

bmse000749,1,1,85
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 85
spectral transition char.chem shift val: 1.4600

bmse000749,1,1,86
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 86
spectral transition char.chem shift val: 1.4526

bmse000749,1,1,87
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 87
spectral transition char.chem shift val: 1.4332

bmse000749,1,1,88
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 88
spectral transition char.chem shift val: 1.4262

bmse000749,1,1,89
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 89
spectral transition char.chem shift val: 1.3998

bmse000749,1,1,90
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 90
spectral transition char.chem shift val: 1.3924

bmse000749,1,1,91
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 91
spectral transition char.chem shift val: 1.3757

bmse000749,1,1,92
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 92
spectral transition char.chem shift val: 1.3677

bmse000749,1,1,93
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 93
spectral transition char.chem shift val: 1.3503

bmse000749,1,1,94
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 94
spectral transition char.chem shift val: 1.3414

bmse000749,1,1,95
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 95
spectral transition char.chem shift val: 1.3299

bmse000749,1,1,96
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 96
spectral transition char.chem shift val: 1.3183

bmse000749,1,1,97
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 97
spectral transition char.chem shift val: 1.3046

bmse000749,1,1,98
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 98
spectral transition char.chem shift val: 1.2934

bmse000749,1,1,99
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 99
spectral transition char.chem shift val: 1.2821

bmse000749,1,1,100
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 100
spectral transition char.chem shift val: 1.1919

bmse000749,1,1,101
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 101
spectral transition char.chem shift val: 1.1786

bmse000749,1,1,102
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 102
spectral transition char.chem shift val: 1.1710

bmse000749,1,1,103
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 103
spectral transition char.chem shift val: 1.1665

bmse000749,1,1,104
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 104
spectral transition char.chem shift val: 1.1575

bmse000749,1,1,105
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 105
spectral transition char.chem shift val: 1.1454

bmse000749,1,1,106
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 106
spectral transition char.chem shift val: 1.1321

bmse000749,1,1,107
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 107
spectral transition char.chem shift val: 1.1202

bmse000749,1,1,108
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 108
spectral transition char.chem shift val: 1.1141

bmse000749,1,1,109
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 109
spectral transition char.chem shift val: 1.0949

bmse000749,1,1,110
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 110
spectral transition char.chem shift val: 1.0870

bmse000749,1,1,111
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 111
spectral transition char.chem shift val: 1.0668

bmse000749,1,1,112
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 112
spectral transition char.chem shift val: 1.0583

bmse000749,1,1,113
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 113
spectral transition char.chem shift val: 1.0270

bmse000749,1,1,114
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 114
spectral transition char.chem shift val: 1.0079

bmse000749,1,1,115
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 115
spectral transition char.chem shift val: 0.9921

bmse000749,1,1,116
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 116
spectral transition char.chem shift val: 0.9831

bmse000749,1,1,117
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 117
spectral transition char.chem shift val: 0.9684

bmse000749,1,1,118
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 118
spectral transition char.chem shift val: 0.9588

bmse000749,1,1,119
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 119
spectral transition char.chem shift val: 0.6546

bmse000749,1,2,1
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 1
spectral transition char.chem shift val: 210.3242

bmse000749,1,2,2
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 2
spectral transition char.chem shift val: 140.7657

bmse000749,1,2,3
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 3
spectral transition char.chem shift val: 121.2552

bmse000749,1,2,4
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 4
spectral transition char.chem shift val: 71.6347

bmse000749,1,2,5
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 5
spectral transition char.chem shift val: 69.4281

bmse000749,1,2,6
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 6
spectral transition char.chem shift val: 59.1918

bmse000749,1,2,7
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 7
spectral transition char.chem shift val: 56.9257

bmse000749,1,2,8
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 8
spectral transition char.chem shift val: 49.8594

bmse000749,1,2,9
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 9
spectral transition char.chem shift val: 44.7369

bmse000749,1,2,10
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 10
spectral transition char.chem shift val: 42.1511

bmse000749,1,2,11
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 11
spectral transition char.chem shift val: 38.5224

bmse000749,1,2,12
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 12
spectral transition char.chem shift val: 37.2018

bmse000749,1,2,13
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 13
spectral transition char.chem shift val: 36.4922

bmse000749,1,2,14
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 14
spectral transition char.chem shift val: 31.8298

bmse000749,1,2,15
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 15
spectral transition char.chem shift val: 31.7295

bmse000749,1,2,16
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 16
spectral transition char.chem shift val: 31.5275

bmse000749,1,2,17
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 17
spectral transition char.chem shift val: 24.5824

bmse000749,1,2,18
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 18
spectral transition char.chem shift val: 22.9140

bmse000749,1,2,19
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 19
spectral transition char.chem shift val: 20.9592

bmse000749,1,2,20
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 20
spectral transition char.chem shift val: 19.3868

bmse000749,1,2,21
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition char.entry id: bmse000749
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 21
spectral transition char.chem shift val: 13.3455

bmse000749,1.29,1,1
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 1.29
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 1
spectral transition general char.measurement method: height

bmse000749,0.98,1,2
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.98
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 2
spectral transition general char.measurement method: height

bmse000749,1.21,1,3
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 1.21
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 3
spectral transition general char.measurement method: height

bmse000749,0.95,1,4
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.95
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 4
spectral transition general char.measurement method: height

bmse000749,3.26,1,5
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 3.26
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 5
spectral transition general char.measurement method: height

bmse000749,3.20,1,6
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 3.20
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 6
spectral transition general char.measurement method: height

bmse000749,0.93,1,7
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.93
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 7
spectral transition general char.measurement method: height

bmse000749,0.22,1,8
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.22
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 8
spectral transition general char.measurement method: height

bmse000749,0.40,1,9
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.40
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 9
spectral transition general char.measurement method: height

bmse000749,0.40,1,10
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.40
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 10
spectral transition general char.measurement method: height

bmse000749,0.55,1,11
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.55
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 11
spectral transition general char.measurement method: height

bmse000749,0.81,1,12
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.81
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 12
spectral transition general char.measurement method: height

bmse000749,0.59,1,13
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.59
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 13
spectral transition general char.measurement method: height

bmse000749,0.38,1,14
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.38
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 14
spectral transition general char.measurement method: height

bmse000749,0.43,1,15
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.43
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 15
spectral transition general char.measurement method: height

bmse000749,0.25,1,16
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.25
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 16
spectral transition general char.measurement method: height

bmse000749,0.67,1,17
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.67
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 17
spectral transition general char.measurement method: height

bmse000749,1.39,1,18
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 1.39
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 18
spectral transition general char.measurement method: height

bmse000749,0.81,1,19
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.81
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 19
spectral transition general char.measurement method: height

bmse000749,0.42,1,20
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.42
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 20
spectral transition general char.measurement method: height

bmse000749,0.49,1,21
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.49
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 21
spectral transition general char.measurement method: height

bmse000749,0.46,1,22
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.46
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 22
spectral transition general char.measurement method: height

bmse000749,0.91,1,23
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.91
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 23
spectral transition general char.measurement method: height

bmse000749,0.89,1,24
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.89
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 24
spectral transition general char.measurement method: height

bmse000749,0.82,1,25
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.82
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 25
spectral transition general char.measurement method: height

bmse000749,0.93,1,26
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.93
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 26
spectral transition general char.measurement method: height

bmse000749,0.51,1,27
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.51
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 27
spectral transition general char.measurement method: height

bmse000749,1.43,1,28
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 1.43
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 28
spectral transition general char.measurement method: height

bmse000749,1.01,1,29
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 1.01
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 29
spectral transition general char.measurement method: height

bmse000749,0.34,1,30
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.34
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 30
spectral transition general char.measurement method: height

bmse000749,0.44,1,31
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.44
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 31
spectral transition general char.measurement method: height

bmse000749,0.32,1,32
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.32
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 32
spectral transition general char.measurement method: height

bmse000749,0.59,1,33
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.59
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 33
spectral transition general char.measurement method: height

bmse000749,0.56,1,34
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.56
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 34
spectral transition general char.measurement method: height

bmse000749,0.44,1,35
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.44
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 35
spectral transition general char.measurement method: height

bmse000749,0.38,1,36
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.38
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 36
spectral transition general char.measurement method: height

bmse000749,0.42,1,37
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.42
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 37
spectral transition general char.measurement method: height

bmse000749,0.46,1,38
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.46
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 38
spectral transition general char.measurement method: height

bmse000749,0.72,1,39
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.72
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 39
spectral transition general char.measurement method: height

bmse000749,0.67,1,40
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.67
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 40
spectral transition general char.measurement method: height

bmse000749,0.44,1,41
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.44
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 41
spectral transition general char.measurement method: height

bmse000749,0.33,1,42
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.33
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 42
spectral transition general char.measurement method: height

bmse000749,0.60,1,43
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.60
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 43
spectral transition general char.measurement method: height

bmse000749,0.93,1,44
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.93
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 44
spectral transition general char.measurement method: height

bmse000749,0.65,1,45
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.65
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 45
spectral transition general char.measurement method: height

bmse000749,0.68,1,46
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.68
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 46
spectral transition general char.measurement method: height

bmse000749,1.05,1,47
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 1.05
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 47
spectral transition general char.measurement method: height

bmse000749,0.63,1,48
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.63
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 48
spectral transition general char.measurement method: height

bmse000749,0.68,1,49
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.68
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 49
spectral transition general char.measurement method: height

bmse000749,1.25,1,50
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 1.25
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 50
spectral transition general char.measurement method: height

bmse000749,1.56,1,51
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 1.56
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 51
spectral transition general char.measurement method: height

bmse000749,1.74,1,52
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 1.74
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 52
spectral transition general char.measurement method: height

bmse000749,1.07,1,53
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 1.07
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 53
spectral transition general char.measurement method: height

bmse000749,0.35,1,54
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.35
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 54
spectral transition general char.measurement method: height

bmse000749,0.41,1,55
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.41
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 55
spectral transition general char.measurement method: height

bmse000749,0.80,1,56
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.80
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 56
spectral transition general char.measurement method: height

bmse000749,1.05,1,57
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 1.05
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 57
spectral transition general char.measurement method: height

bmse000749,1.21,1,58
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 1.21
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 58
spectral transition general char.measurement method: height

bmse000749,2.03,1,59
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 2.03
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 59
spectral transition general char.measurement method: height

bmse000749,0.85,1,60
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.85
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 60
spectral transition general char.measurement method: height

bmse000749,1.32,1,61
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 1.32
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 61
spectral transition general char.measurement method: height

bmse000749,0.48,1,62
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.48
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 62
spectral transition general char.measurement method: height

bmse000749,0.31,1,63
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.31
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 63
spectral transition general char.measurement method: height

bmse000749,0.58,1,64
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.58
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 64
spectral transition general char.measurement method: height

bmse000749,0.59,1,65
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.59
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 65
spectral transition general char.measurement method: height

bmse000749,0.43,1,66
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.43
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 66
spectral transition general char.measurement method: height

bmse000749,0.50,1,67
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.50
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 67
spectral transition general char.measurement method: height

bmse000749,0.85,1,68
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.85
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 68
spectral transition general char.measurement method: height

bmse000749,1.02,1,69
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 1.02
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 69
spectral transition general char.measurement method: height

bmse000749,0.53,1,70
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.53
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 70
spectral transition general char.measurement method: height

bmse000749,0.66,1,71
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.66
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 71
spectral transition general char.measurement method: height

bmse000749,0.57,1,72
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.57
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 72
spectral transition general char.measurement method: height

bmse000749,0.33,1,73
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.33
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 73
spectral transition general char.measurement method: height

bmse000749,0.61,1,74
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.61
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 74
spectral transition general char.measurement method: height

bmse000749,0.79,1,75
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.79
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 75
spectral transition general char.measurement method: height

bmse000749,0.87,1,76
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.87
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 76
spectral transition general char.measurement method: height

bmse000749,0.50,1,77
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.50
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 77
spectral transition general char.measurement method: height

bmse000749,0.49,1,78
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.49
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 78
spectral transition general char.measurement method: height

bmse000749,1.46,1,79
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 1.46
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 79
spectral transition general char.measurement method: height

bmse000749,1.28,1,80
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 1.28
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 80
spectral transition general char.measurement method: height

bmse000749,1.26,1,81
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 1.26
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 81
spectral transition general char.measurement method: height

bmse000749,1.40,1,82
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 1.40
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 82
spectral transition general char.measurement method: height

bmse000749,0.96,1,83
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.96
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 83
spectral transition general char.measurement method: height

bmse000749,0.57,1,84
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.57
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 84
spectral transition general char.measurement method: height

bmse000749,0.72,1,85
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.72
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 85
spectral transition general char.measurement method: height

bmse000749,0.71,1,86
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.71
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 86
spectral transition general char.measurement method: height

bmse000749,0.40,1,87
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.40
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 87
spectral transition general char.measurement method: height

bmse000749,0.40,1,88
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.40
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 88
spectral transition general char.measurement method: height

bmse000749,0.69,1,89
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.69
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 89
spectral transition general char.measurement method: height

bmse000749,0.64,1,90
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.64
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 90
spectral transition general char.measurement method: height

bmse000749,0.78,1,91
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.78
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 91
spectral transition general char.measurement method: height

bmse000749,0.77,1,92
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.77
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 92
spectral transition general char.measurement method: height

bmse000749,0.52,1,93
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.52
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 93
spectral transition general char.measurement method: height

bmse000749,0.75,1,94
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.75
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 94
spectral transition general char.measurement method: height

bmse000749,0.42,1,95
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.42
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 95
spectral transition general char.measurement method: height

bmse000749,0.65,1,96
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.65
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 96
spectral transition general char.measurement method: height

bmse000749,0.83,1,97
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.83
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 97
spectral transition general char.measurement method: height

bmse000749,0.44,1,98
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.44
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 98
spectral transition general char.measurement method: height

bmse000749,0.53,1,99
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.53
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 99
spectral transition general char.measurement method: height

bmse000749,0.53,1,100
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.53
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 100
spectral transition general char.measurement method: height

bmse000749,0.58,1,101
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.58
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 101
spectral transition general char.measurement method: height

bmse000749,0.59,1,102
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.59
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 102
spectral transition general char.measurement method: height

bmse000749,0.55,1,103
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.55
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 103
spectral transition general char.measurement method: height

bmse000749,0.66,1,104
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.66
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 104
spectral transition general char.measurement method: height

bmse000749,0.38,1,105
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.38
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 105
spectral transition general char.measurement method: height

bmse000749,0.46,1,106
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.46
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 106
spectral transition general char.measurement method: height

bmse000749,0.41,1,107
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.41
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 107
spectral transition general char.measurement method: height

bmse000749,0.59,1,108
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.59
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 108
spectral transition general char.measurement method: height

bmse000749,0.84,1,109
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.84
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 109
spectral transition general char.measurement method: height

bmse000749,0.74,1,110
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.74
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 110
spectral transition general char.measurement method: height

bmse000749,0.49,1,111
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.49
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 111
spectral transition general char.measurement method: height

bmse000749,0.30,1,112
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.30
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 112
spectral transition general char.measurement method: height

bmse000749,0.53,1,113
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.53
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 113
spectral transition general char.measurement method: height

bmse000749,15.00,1,114
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 15.00
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 114
spectral transition general char.measurement method: height

bmse000749,0.95,1,115
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.95
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 115
spectral transition general char.measurement method: height

bmse000749,0.75,1,116
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.75
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 116
spectral transition general char.measurement method: height

bmse000749,0.51,1,117
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.51
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 117
spectral transition general char.measurement method: height

bmse000749,0.45,1,118
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 0.45
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 118
spectral transition general char.measurement method: height

bmse000749,14.73,1,119
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 14.73
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 119
spectral transition general char.measurement method: height

bmse000749,1.92,2,1
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 1.92
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 1
spectral transition general char.measurement method: height

bmse000749,1.98,2,2
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 1.98
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 2
spectral transition general char.measurement method: height

bmse000749,3.27,2,3
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 3.27
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 3
spectral transition general char.measurement method: height

bmse000749,3.55,2,4
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 3.55
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 4
spectral transition general char.measurement method: height

bmse000749,3.53,2,5
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 3.53
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 5
spectral transition general char.measurement method: height

bmse000749,3.77,2,6
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 3.77
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 6
spectral transition general char.measurement method: height

bmse000749,3.59,2,7
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 3.59
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 7
spectral transition general char.measurement method: height

bmse000749,3.54,2,8
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 3.54
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 8
spectral transition general char.measurement method: height

bmse000749,2.83,2,9
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 2.83
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 9
spectral transition general char.measurement method: height

bmse000749,3.59,2,10
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 3.59
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 10
spectral transition general char.measurement method: height

bmse000749,3.50,2,11
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 3.50
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 11
spectral transition general char.measurement method: height

bmse000749,3.63,2,12
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 3.63
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 12
spectral transition general char.measurement method: height

bmse000749,2.89,2,13
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 2.89
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 13
spectral transition general char.measurement method: height

bmse000749,3.67,2,14
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 3.67
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 14
spectral transition general char.measurement method: height

bmse000749,3.49,2,15
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 3.49
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 15
spectral transition general char.measurement method: height

bmse000749,3.53,2,16
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 3.53
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 16
spectral transition general char.measurement method: height

bmse000749,3.46,2,17
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 3.46
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 17
spectral transition general char.measurement method: height

bmse000749,3.66,2,18
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 3.66
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 18
spectral transition general char.measurement method: height

bmse000749,3.43,2,19
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 3.43
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 19
spectral transition general char.measurement method: height

bmse000749,3.85,2,20
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 3.85
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 20
spectral transition general char.measurement method: height

bmse000749,3.92,2,21
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000749
spectral transition general char.entry id: bmse000749
spectral transition general char.intensity val: 3.92
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 21
spectral transition general char.measurement method: height

bmse000749,1,Collection
type: task
of datablock: info:bmrb.metabolomics/bmse000749
task.entry id: bmse000749
task.software id: 1
task.task: Collection

bmse000749,1,Processing
type: task
of datablock: info:bmrb.metabolomics/bmse000749
task.entry id: bmse000749
task.software id: 1
task.task: Processing

bmse000749,1,Data analysis
type: task
of datablock: info:bmrb.metabolomics/bmse000749
task.entry id: bmse000749
task.software id: 1
task.task: Data analysis

bmse000749,1,Peak picking
type: task
of datablock: info:bmrb.metabolomics/bmse000749
task.entry id: bmse000749
task.software id: 1
task.task: Peak picking

bmse000749,Bruker Biospin,1
type: vendor
of datablock: info:bmrb.metabolomics/bmse000749
vendor.entry id: bmse000749
vendor.name: Bruker Biospin
vendor.software id: 1