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type: datablock
references: doi:10.13018/BMSE000927
title: taurocholic_acid
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doi:10.13018/BMSE000927
label: info:doi/10.13018/BMSE000927

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H70,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H70
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H39
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H70
atom nomenclature.naming system: ALATIS

H74,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H74
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H40
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H74
atom nomenclature.naming system: ALATIS

H65,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H65
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H41
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H65
atom nomenclature.naming system: ALATIS

H66,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H66
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H42
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H66
atom nomenclature.naming system: ALATIS

H68,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H68
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H43
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H68
atom nomenclature.naming system: ALATIS

H49,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H49
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H44
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H49
atom nomenclature.naming system: ALATIS

H50,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H50
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H45
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H50
atom nomenclature.naming system: ALATIS

H73,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H73
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H46
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H73
atom nomenclature.naming system: ALATIS

H47,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H47
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H47
atom nomenclature.naming system: BMRB
atom nomenclature.naming system: ALATIS

H48,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H48
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H48
atom nomenclature.naming system: BMRB
atom nomenclature.naming system: ALATIS

H63,1,bmse000927
type: atom nomenclature
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atom nomenclature.atom id: H63
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H49
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H63
atom nomenclature.naming system: ALATIS

H64,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H64
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H50
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H64
atom nomenclature.naming system: ALATIS

H55,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H55
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H51
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H55
atom nomenclature.naming system: ALATIS

H56,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H56
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H52
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H56
atom nomenclature.naming system: ALATIS

H44,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H44
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H53
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H44
atom nomenclature.naming system: ALATIS

H42,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H42
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H54
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H42
atom nomenclature.naming system: ALATIS

H43,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H43
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H55
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H43
atom nomenclature.naming system: ALATIS

H67,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H67
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H56
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H67
atom nomenclature.naming system: ALATIS

H61,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H61
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H57
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H61
atom nomenclature.naming system: ALATIS

H62,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H62
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H58
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H62
atom nomenclature.naming system: ALATIS

H39,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H39
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H59
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H39
atom nomenclature.naming system: ALATIS

H41,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H41
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H60
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H41
atom nomenclature.naming system: ALATIS

H40,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H40
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H61
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H40
atom nomenclature.naming system: ALATIS

H53,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H53
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H62
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H53
atom nomenclature.naming system: ALATIS

H54,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H54
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H63
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H54
atom nomenclature.naming system: ALATIS

H69,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H69
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H64
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H69
atom nomenclature.naming system: ALATIS

H79,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H79
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H65
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H79
atom nomenclature.naming system: ALATIS

H45,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H45
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H66
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H45
atom nomenclature.naming system: ALATIS

H46,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H46
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H67
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H46
atom nomenclature.naming system: ALATIS

H78,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H78
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H68
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H78
atom nomenclature.naming system: ALATIS

H36,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H36
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H69
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H36
atom nomenclature.naming system: ALATIS

H37,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H37
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H70
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H37
atom nomenclature.naming system: ALATIS

H38,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H38
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H71
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H38
atom nomenclature.naming system: ALATIS

H77,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H77
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H72
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H77
atom nomenclature.naming system: ALATIS

H51,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H51
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H73
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H51
atom nomenclature.naming system: ALATIS

H52,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H52
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H74
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H52
atom nomenclature.naming system: ALATIS

H76,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H76
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H75
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H76
atom nomenclature.naming system: ALATIS

H57,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H57
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H76
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H57
atom nomenclature.naming system: ALATIS

H58,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H58
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H77
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H58
atom nomenclature.naming system: ALATIS

H59,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H59
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H78
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H59
atom nomenclature.naming system: ALATIS

H60,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H60
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H79
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H60
atom nomenclature.naming system: ALATIS

H80,1,bmse000927
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000927
atom nomenclature.atom id: H80
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000927
atom nomenclature.atom name: H80
atom nomenclature.naming system: BMRB
atom nomenclature.naming system: ALATIS

bmse000927,1
type: chem comp
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp.entry id: bmse000927
chem comp.id: 1
chem comp.aromatic: no
chem comp.bmrb code: bmse000927
chem comp.formula: C26 H45 N O7 S
chem comp.formula mono iso wt 13c: 541.3789
chem comp.formula mono iso wt 13c 15n: 542.3759
chem comp.formula mono iso wt 15n: 516.2887
chem comp.formula mono iso wt nat: 515.2917
chem comp.formula weight: 515.703
chem comp.image file format: png
chem comp.image file name: bmse000927.png
chem comp.inchi code: InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
chem comp.name: Taurocholic acid
chem comp.paramagnetic: no
chem comp.provenance: na
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_1
chem comp.struct file format: mol
chem comp.struct file name: bmse000927.mol
chem comp.type: NON-POLYMER

S35,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: S35
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 14.0317
chem comp atom.drawing 2d coord y: 3.8023
chem comp atom.pdbx ordinal: 1
chem comp atom.type symbol: S

O30,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: O30
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 7.0628
chem comp atom.drawing 2d coord y: 0.3706
chem comp atom.pdbx ordinal: 2
chem comp atom.type symbol: O

O29,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: O29
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 7.9506
chem comp atom.drawing 2d coord y: -4.1608
chem comp atom.pdbx ordinal: 3
chem comp atom.type symbol: O

O28,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: O28
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 2.5357
chem comp atom.drawing 2d coord y: -4.1817
chem comp atom.pdbx ordinal: 4
chem comp atom.type symbol: O

O31,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: O31
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 12.1212
chem comp atom.drawing 2d coord y: 0.7445
chem comp atom.pdbx ordinal: 5
chem comp atom.type symbol: O

O32,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: O32
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 15.0102
chem comp atom.drawing 2d coord y: 4.0085
chem comp atom.pdbx ordinal: 6
chem comp atom.type symbol: O

O33,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: O33
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 13.8255
chem comp atom.drawing 2d coord y: 4.7808
chem comp atom.pdbx ordinal: 7
chem comp atom.type symbol: O

O34,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: O34
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 14.2379
chem comp atom.drawing 2d coord y: 2.8238
chem comp atom.pdbx ordinal: 8
chem comp atom.type symbol: O

N27,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: N27
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 11.7640
chem comp atom.drawing 2d coord y: 2.4393
chem comp atom.pdbx ordinal: 9
chem comp atom.type symbol: N

C26,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C26
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 7.9288
chem comp atom.drawing 2d coord y: -1.1294
chem comp atom.pdbx ordinal: 10
chem comp atom.type symbol: C

C19,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C19
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 7.9288
chem comp atom.drawing 2d coord y: -2.1294
chem comp atom.pdbx ordinal: 11
chem comp atom.type symbol: C

C24,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C24
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 7.0628
chem comp atom.drawing 2d coord y: -2.6294
chem comp atom.pdbx ordinal: 12
chem comp atom.type symbol: C

C20,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C20
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 6.1968
chem comp atom.drawing 2d coord y: -2.1294
chem comp atom.pdbx ordinal: 13
chem comp atom.type symbol: C

C25,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C25
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 5.2868
chem comp atom.drawing 2d coord y: -2.6362
chem comp atom.pdbx ordinal: 14
chem comp atom.type symbol: C

C18,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C18
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 8.8750
chem comp atom.drawing 2d coord y: -0.8247
chem comp atom.pdbx ordinal: 15
chem comp atom.type symbol: C

C22,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C22
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 7.0628
chem comp atom.drawing 2d coord y: -0.6294
chem comp atom.pdbx ordinal: 16
chem comp atom.type symbol: C

C14,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C14
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 6.1968
chem comp atom.drawing 2d coord y: -1.1294
chem comp atom.pdbx ordinal: 17
chem comp atom.type symbol: C

C16,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C16
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 5.2787
chem comp atom.drawing 2d coord y: -3.6778
chem comp atom.pdbx ordinal: 18
chem comp atom.type symbol: C

C6,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C6
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 8.8750
chem comp atom.drawing 2d coord y: -2.4341
chem comp atom.pdbx ordinal: 19
chem comp atom.type symbol: C

C21,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C21
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 7.0789
chem comp atom.drawing 2d coord y: -3.6709
chem comp atom.pdbx ordinal: 20
chem comp atom.type symbol: C

C5,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C5
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 9.4586
chem comp atom.drawing 2d coord y: -1.6294
chem comp atom.pdbx ordinal: 21
chem comp atom.type symbol: C

C13,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C13
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 6.1808
chem comp atom.drawing 2d coord y: -4.1986
chem comp atom.pdbx ordinal: 22
chem comp atom.type symbol: C

C9,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C9
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 4.3599
chem comp atom.drawing 2d coord y: -2.0722
chem comp atom.pdbx ordinal: 23
chem comp atom.type symbol: C

C3,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C3
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 7.9288
chem comp atom.drawing 2d coord y: -0.1294
chem comp atom.pdbx ordinal: 24
chem comp atom.type symbol: C

C15,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C15
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 9.1857
chem comp atom.drawing 2d coord y: 0.1259
chem comp atom.pdbx ordinal: 25
chem comp atom.type symbol: C

C12,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C12
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 4.3433
chem comp atom.drawing 2d coord y: -4.2276
chem comp atom.pdbx ordinal: 26
chem comp atom.type symbol: C

C2,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C2
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 5.2945
chem comp atom.drawing 2d coord y: -1.6363
chem comp atom.pdbx ordinal: 27
chem comp atom.type symbol: C

C8,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C8
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 3.4120
chem comp atom.drawing 2d coord y: -2.6001
chem comp atom.pdbx ordinal: 28
chem comp atom.type symbol: C

C17,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C17
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 3.4037
chem comp atom.drawing 2d coord y: -3.6851
chem comp atom.pdbx ordinal: 29
chem comp atom.type symbol: C

C4,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C4
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 10.1642
chem comp atom.drawing 2d coord y: 0.3321
chem comp atom.pdbx ordinal: 30
chem comp atom.type symbol: C

C1,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C1
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 8.5179
chem comp atom.drawing 2d coord y: 0.8702
chem comp atom.pdbx ordinal: 31
chem comp atom.type symbol: C

C7,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C7
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 10.4749
chem comp atom.drawing 2d coord y: 1.2826
chem comp atom.pdbx ordinal: 32
chem comp atom.type symbol: C

C23,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C23
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 11.4534
chem comp atom.drawing 2d coord y: 1.4888
chem comp atom.pdbx ordinal: 33
chem comp atom.type symbol: C

C10,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C10
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 12.7425
chem comp atom.drawing 2d coord y: 2.6456
chem comp atom.pdbx ordinal: 34
chem comp atom.type symbol: C

C11,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: C11
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 13.0532
chem comp atom.drawing 2d coord y: 3.5961
chem comp atom.pdbx ordinal: 35
chem comp atom.type symbol: C

H71,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H71
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 8.0188
chem comp atom.drawing 2d coord y: -2.9746
chem comp atom.pdbx ordinal: 36
chem comp atom.type symbol: H

H75,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H75
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 7.8022
chem comp atom.drawing 2d coord y: -3.0487
chem comp atom.pdbx ordinal: 37
chem comp atom.type symbol: H

H72,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H72
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 6.9329
chem comp atom.drawing 2d coord y: -1.7044
chem comp atom.pdbx ordinal: 38
chem comp atom.type symbol: H

H70,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H70
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 9.7148
chem comp atom.drawing 2d coord y: -0.6928
chem comp atom.pdbx ordinal: 39
chem comp atom.type symbol: H

H74,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H74
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 7.5997
chem comp atom.drawing 2d coord y: -0.3194
chem comp atom.pdbx ordinal: 40
chem comp atom.type symbol: H

H65,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H65
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 5.9847
chem comp atom.drawing 2d coord y: -0.5468
chem comp atom.pdbx ordinal: 41
chem comp atom.type symbol: H

H66,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H66
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 5.5862
chem comp atom.drawing 2d coord y: -1.2370
chem comp atom.pdbx ordinal: 42
chem comp atom.type symbol: H

H68,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H68
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 5.2820
chem comp atom.drawing 2d coord y: -4.5278
chem comp atom.pdbx ordinal: 43
chem comp atom.type symbol: H

H49,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H49
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 8.6240
chem comp atom.drawing 2d coord y: -3.0010
chem comp atom.pdbx ordinal: 44
chem comp atom.type symbol: H

H50,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H50
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 9.4124
chem comp atom.drawing 2d coord y: -2.7434
chem comp atom.pdbx ordinal: 45
chem comp atom.type symbol: H

H73,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H73
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 7.6116
chem comp atom.drawing 2d coord y: -3.3537
chem comp atom.pdbx ordinal: 46
chem comp atom.type symbol: H

H47,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H47
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 9.9195
chem comp atom.drawing 2d coord y: -2.0441
chem comp atom.pdbx ordinal: 47
chem comp atom.type symbol: H

H48,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H48
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 9.9195
chem comp atom.drawing 2d coord y: -1.2147
chem comp atom.pdbx ordinal: 48
chem comp atom.type symbol: H

H63,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H63
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 5.7835
chem comp atom.drawing 2d coord y: -4.6746
chem comp atom.pdbx ordinal: 49
chem comp atom.type symbol: H

H64,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H64
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 6.5818
chem comp atom.drawing 2d coord y: -4.6715
chem comp atom.pdbx ordinal: 50
chem comp atom.type symbol: H

H55,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H55
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 4.7681
chem comp atom.drawing 2d coord y: -1.6055
chem comp atom.pdbx ordinal: 51
chem comp atom.type symbol: H

H56,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H56
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 3.9700
chem comp atom.drawing 2d coord y: -1.5901
chem comp atom.pdbx ordinal: 52
chem comp atom.type symbol: H

H44,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H44
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 8.5488
chem comp atom.drawing 2d coord y: -0.1294
chem comp atom.pdbx ordinal: 53
chem comp atom.type symbol: H

H42,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H42
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 7.9288
chem comp atom.drawing 2d coord y: 0.4906
chem comp atom.pdbx ordinal: 54
chem comp atom.type symbol: H

H43,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H43
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 7.3088
chem comp atom.drawing 2d coord y: -0.1294
chem comp atom.pdbx ordinal: 55
chem comp atom.type symbol: H

H67,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H67
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 9.3783
chem comp atom.drawing 2d coord y: 0.7152
chem comp atom.pdbx ordinal: 56
chem comp atom.type symbol: H

H61,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H61
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 3.9460
chem comp atom.drawing 2d coord y: -4.7035
chem comp atom.pdbx ordinal: 57
chem comp atom.type symbol: H

H62,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H62
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 4.7443
chem comp atom.drawing 2d coord y: -4.7004
chem comp atom.pdbx ordinal: 58
chem comp atom.type symbol: H

H39,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H39
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 5.9145
chem comp atom.drawing 2d coord y: -1.6410
chem comp atom.pdbx ordinal: 59
chem comp atom.type symbol: H

H41,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H41
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 5.2993
chem comp atom.drawing 2d coord y: -1.0163
chem comp atom.pdbx ordinal: 60
chem comp atom.type symbol: H

H40,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H40
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 4.6745
chem comp atom.drawing 2d coord y: -1.6315
chem comp atom.pdbx ordinal: 61
chem comp atom.type symbol: H

H53,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H53
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 3.2075
chem comp atom.drawing 2d coord y: -2.0148
chem comp atom.pdbx ordinal: 62
chem comp atom.type symbol: H

H54,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H54
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 2.8004
chem comp atom.drawing 2d coord y: -2.7015
chem comp atom.pdbx ordinal: 63
chem comp atom.type symbol: H

H69,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H69
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 3.4025
chem comp atom.drawing 2d coord y: -4.3051
chem comp atom.pdbx ordinal: 64
chem comp atom.type symbol: H

H79,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H79
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 6.5259
chem comp atom.drawing 2d coord y: 0.6806
chem comp atom.pdbx ordinal: 65
chem comp atom.type symbol: H

H45,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H45
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 10.1848
chem comp atom.drawing 2d coord y: -0.2876
chem comp atom.pdbx ordinal: 66
chem comp atom.type symbol: H

H46,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H46
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 10.7780
chem comp atom.drawing 2d coord y: 0.2447
chem comp atom.pdbx ordinal: 67
chem comp atom.type symbol: H

H78,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H78
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 7.9578
chem comp atom.drawing 2d coord y: -4.7808
chem comp atom.pdbx ordinal: 68
chem comp atom.type symbol: H

H36,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H36
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 8.9793
chem comp atom.drawing 2d coord y: 1.2842
chem comp atom.pdbx ordinal: 69
chem comp atom.type symbol: H

H37,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H37
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 8.1038
chem comp atom.drawing 2d coord y: 1.3316
chem comp atom.pdbx ordinal: 70
chem comp atom.type symbol: H

H38,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H38
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 8.0564
chem comp atom.drawing 2d coord y: 0.4561
chem comp atom.pdbx ordinal: 71
chem comp atom.type symbol: H

H77,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H77
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 2.0000
chem comp atom.drawing 2d coord y: -3.8696
chem comp atom.pdbx ordinal: 72
chem comp atom.type symbol: H

H51,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H51
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 10.4543
chem comp atom.drawing 2d coord y: 1.9023
chem comp atom.pdbx ordinal: 73
chem comp atom.type symbol: H

H52,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H52
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 9.8611
chem comp atom.drawing 2d coord y: 1.3700
chem comp atom.pdbx ordinal: 74
chem comp atom.type symbol: H

H76,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H76
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 11.3500
chem comp atom.drawing 2d coord y: 2.9008
chem comp atom.pdbx ordinal: 75
chem comp atom.type symbol: H

H57,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H57
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 12.7631
chem comp atom.drawing 2d coord y: 2.0259
chem comp atom.pdbx ordinal: 76
chem comp atom.type symbol: H

H58,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H58
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 13.3564
chem comp atom.drawing 2d coord y: 2.5582
chem comp atom.pdbx ordinal: 77
chem comp atom.type symbol: H

H59,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H59
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 13.0326
chem comp atom.drawing 2d coord y: 4.2157
chem comp atom.pdbx ordinal: 78
chem comp atom.type symbol: H

H60,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H60
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 12.4394
chem comp atom.drawing 2d coord y: 3.6834
chem comp atom.pdbx ordinal: 79
chem comp atom.type symbol: H

H80,1,bmse000927
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
chem comp atom.atom id: H80
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000927
chem comp atom.drawing 2d coord x: 15.2028
chem comp atom.drawing 2d coord y: 4.5978
chem comp atom.pdbx ordinal: 80
chem comp atom.type symbol: H

1,bmse000927,1
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 1
chem comp bond.atom id 1: S35
chem comp bond.atom id 2: O32
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,2
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 2
chem comp bond.atom id 1: S35
chem comp bond.atom id 2: O33
chem comp bond.type: covalent
chem comp bond.value order: DOUB

1,bmse000927,3
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 3
chem comp bond.atom id 1: S35
chem comp bond.atom id 2: O34
chem comp bond.type: covalent
chem comp bond.value order: DOUB

1,bmse000927,4
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 4
chem comp bond.atom id 1: S35
chem comp bond.atom id 2: C11
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,5
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 5
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: O30
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,6
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 6
chem comp bond.atom id 1: O30
chem comp bond.atom id 2: H79
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,7
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 7
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: O29
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,8
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 8
chem comp bond.atom id 1: O29
chem comp bond.atom id 2: H78
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,9
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 9
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: O28
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,10
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 10
chem comp bond.atom id 1: O28
chem comp bond.atom id 2: H77
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,11
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 11
chem comp bond.atom id 1: O31
chem comp bond.atom id 2: C23
chem comp bond.type: covalent
chem comp bond.value order: DOUB

1,bmse000927,12
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 12
chem comp bond.atom id 1: O32
chem comp bond.atom id 2: H80
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,13
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 13
chem comp bond.atom id 1: N27
chem comp bond.atom id 2: C23
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,14
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 14
chem comp bond.atom id 1: N27
chem comp bond.atom id 2: C10
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,15
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 15
chem comp bond.atom id 1: N27
chem comp bond.atom id 2: H76
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,16
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 16
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: C19
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,17
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 17
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: C18
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,18
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 18
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: C22
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,19
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 19
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: C3
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,20
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 20
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: C24
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,21
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 21
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: C6
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,22
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 22
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: H71
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,23
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 23
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: C20
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,24
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 24
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: C21
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,25
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 25
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: H75
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,26
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 26
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: C25
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,27
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 27
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: C14
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,28
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 28
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: H72
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,29
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 29
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: C16
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,30
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 30
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: C9
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,31
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 31
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: C2
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,32
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 32
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C5
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,33
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 33
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C15
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,34
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 34
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H70
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,35
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 35
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: C14
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,36
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 36
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: H74
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,37
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 37
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H65
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,38
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 38
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H66
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,39
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 39
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: C13
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,40
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 40
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: C12
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,41
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 41
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H68
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,42
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 42
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: C5
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,43
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 43
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H49
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,44
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 44
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H50
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,45
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 45
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C13
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,46
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 46
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: H73
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,47
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 47
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H47
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,48
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 48
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H48
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,49
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 49
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: H63
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,50
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 50
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: H64
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,51
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 51
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: C8
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,52
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 52
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H55
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,53
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 53
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H56
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,54
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 54
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H44
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,55
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 55
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H42
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,56
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 56
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H43
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,57
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 57
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,bmse000927,58
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 58
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: C1
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,59
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 59
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H67
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,60
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 60
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: C17
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,61
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 61
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H61
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,62
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 62
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H62
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,63
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 63
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H39
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,64
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 64
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H41
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,65
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 65
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H40
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,66
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 66
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: C17
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,67
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 67
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H53
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,68
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 68
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H54
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,69
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 69
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: H69
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000927,70
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000927
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000927
chem comp bond.id: 70
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C7
chem comp bond.type: covalent
chem comp bond.value order: SING

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type: chem comp bond
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type: chem comp citation
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1,bmse000927,Taurocholic Acid,abbreviation
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chem comp common name.entry id: bmse000927
chem comp common name.name: Taurocholic Acid
chem comp common name.type: abbreviation

1,bmse000927,Taurocholate Sodium,abbreviation
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chem comp common name.comp id: 1
chem comp common name.entry id: bmse000927
chem comp common name.name: Taurocholate Sodium
chem comp common name.type: abbreviation

1,bmse000927,Cholic acid taurine conjugate,abbreviation
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chem comp common name.comp id: 1
chem comp common name.entry id: bmse000927
chem comp common name.name: Cholic acid taurine conjugate
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1,bmse000927,N-choloyltaurine,abbreviation
type: chem comp common name
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chem comp common name.comp id: 1
chem comp common name.entry id: bmse000927
chem comp common name.name: N-choloyltaurine
chem comp common name.type: abbreviation

1,bmse000927,Cholyltaurine,abbreviation
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chem comp common name.entry id: bmse000927
chem comp common name.name: Cholyltaurine
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chem comp common name.comp id: 1
chem comp common name.entry id: bmse000927
chem comp common name.name: Cholaic acid
chem comp common name.type: abbreviation

1,bmse000927,3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid 24-taurine,abbreviation
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chem comp common name.entry id: bmse000927
chem comp common name.name: 3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid 24-taurine
chem comp common name.type: abbreviation

1,bmse000927,TAUROCHOLATE,abbreviation
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chem comp common name.name: TAUROCHOLATE
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1,bmse000927,N-Choloyltaurine,abbreviation
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chem comp common name.name: N-Choloyltaurine
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1,bmse000927,Taurocholate,abbreviation
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chem comp common name.entry id: bmse000927
chem comp common name.name: Taurocholate
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1,bmse000927,Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha,12alpha)-3,7,abbreviation
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chem comp common name.name: Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-
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1,bmse000927,cholic acid taurine conjugate,abbreviation
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chem comp common name.entry id: bmse000927
chem comp common name.name: cholic acid taurine conjugate
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1,bmse000927,2-((3-alpha,7-alpha,abbreviation
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chem comp common name.name: 2-((3-alpha,7-alpha,12-alpha-Trihydroxy-24-oxo-5-be ta-cholan-24-yl)amino)ethanesulfonic acid
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1,bmse000927,ethanesulfonic acid, 2-[[(3alpha,5beta,7alpha,12alpha)-3,7,abbreviation
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chem comp common name.name: ethanesulfonic acid, 2-[[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-
chem comp common name.type: abbreviation

1,bmse000927,Taurocholic acid sodium salt hydrate,abbreviation
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chem comp common name.name: Taurocholic acid sodium salt hydrate
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1,bmse000927,2-[(3alpha,7alpha,abbreviation
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chem comp common name.entry id: bmse000927
chem comp common name.name: 2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonic acid
chem comp common name.type: abbreviation
chem comp common name.name: 2-[(3alpha,7alpha,12alpha-Trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonic acid

1,bmse000927,Acidum cholatauricum,abbreviation
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chem comp common name.entry id: bmse000927
chem comp common name.name: Acidum cholatauricum
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1,bmse000927,Sodium taurocholate hydrate,abbreviation
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chem comp common name.entry id: bmse000927
chem comp common name.name: Sodium taurocholate hydrate
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chem comp common name.entry id: bmse000927
chem comp common name.name: Taurine, N-choloyl-
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1,bmse000927,Sodium Taurocholate,abbreviation
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chem comp common name.comp id: 1
chem comp common name.entry id: bmse000927
chem comp common name.name: Sodium Taurocholate
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1,bmse000927,3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid 24-taurine,abbreviation
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chem comp common name.name: 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid 24-taurine
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1,bmse000927,3alpha,7alpha,abbreviation
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chem comp common name.name: 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid N-(2-sulfoethyl)amide
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1,bmse000927,2-(((3alpha,5beta,7alpha,12alpha)-3,7,abbreviation
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chem comp common name.name: 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl)amino)ethanesulfonic acid
chem comp common name.type: abbreviation
chem comp common name.name: 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl)amino)ethanesulphonic acid

1,bmse000927,Taurine Cholate,abbreviation
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chem comp common name.name: Taurine Cholate
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pubchem.substance:144080928

6675,1,PubChem,bmse000927
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pubchem.compound:6675

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cq 02867,1,MMCD,bmse000927
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pubchem.substance:29225628

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pubchem.substance:103512877

81-24-3,1,CAS Registry,bmse000927
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entry.id: bmse000927
entry.type: metabolite/natural product
entry.accession date: 2012-02-16Z
entry.bmrb internal directory name: taurocholic_acid
entry.doi: 10.13018/BMSE000927
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: 3.1.1.21
entry.original release date: 2012-02-16Z
entry.origination: author
entry.sf category: entry_information
entry.sf framecode: entry_information
entry.submission date: 2012-02-16Z
entry.title: taurocholic_acid
entry.version type: update

doi:10.13018/BMSE000927

bmse000927,1
type: entry author
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
entry author.entry id: bmse000927
entry author.ordinal: 1
entry author.family name: Jofre
entry author.given name: Francisca
entry author.pdbx name: Jofre, F.

bmse000927,2
type: entry author
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
entry author.entry id: bmse000927
entry author.ordinal: 2
entry author.family name: Anderson
entry author.given name: Mark
entry author.middle initials: E.
entry author.pdbx name: Anderson, M.E.

bmse000927,3
type: entry author
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
entry author.entry id: bmse000927
entry author.ordinal: 3
entry author.family name: Markley
entry author.given name: John
entry author.middle initials: L.
entry author.pdbx name: Markley, J.L.

bmse000927,1
type: entry src
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
entry src.entry id: bmse000927
entry src.id: 1
entry src.organization full name: National Magnetic Facility at Madison
entry src.organization initials: NMRFAM
entry src.project name: metabolomics

bmse000927,2
type: entry src
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reference to entry: entry
entry src.entry id: bmse000927
entry src.id: 2
entry src.organization full name: Biological Magnetic Resonance Bank
entry src.organization initials: BMRB
entry src.project name: metabolomics

bmse000927,1,1
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bmse000927,1,2
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bmse000927,1,3
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bmse000927,1,4
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bmse000927,1,5
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bmse000927,1,6
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bmse000927,1,7
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bmse000927,1,8
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bmse000927,1,9
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1,1H
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2,HH TOCSY
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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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7,1H 13C HMBC
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8,HH COSY
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9,1H 13C HMQC
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9,00.png
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9,01.png
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bmse000927,1
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experiment list.entry id: bmse000927
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bmse000927,1
type: nmr spectrometer
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reference to entry: entry
nmr spectrometer.entry id: bmse000927
nmr spectrometer.id: 1
nmr spectrometer.field strength: 500
nmr spectrometer.manufacturer: Bruker
nmr spectrometer.model: DMX
nmr spectrometer.sf category: NMR_spectrometer
nmr spectrometer.sf framecode: Bruker_DMX_500

bmse000927,1
type: release
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
release.entry id: bmse000927
release.release number: 1
release.author: BMRB
release.date: 2012-02-16Z
release.detail: Original spectra from MMC
release.submission date: 2012-02-16Z
release.type: original

bmse000927,2
type: release
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
release.entry id: bmse000927
release.release number: 2
release.author: BMRB
release.date: 2012-03-25Z
release.detail: removed existing spectral peaks
release.submission date: 2012-02-16Z
release.type: update

bmse000927,3
type: release
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reference to entry: entry
release.entry id: bmse000927
release.release number: 3
release.author: BMRB
release.date: 2012-03-25Z
release.detail: Updating or adding transitions and assignments - again
release.submission date: 2012-02-16Z
release.type: update

bmse000927,4
type: release
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reference to entry: entry
release.entry id: bmse000927
release.release number: 4
release.author: BMRB
release.date: 2012-07-23Z
release.detail: Fixed potential erros in assigned chemical shifts
release.submission date: 2012-02-16Z
release.type: update

bmse000927,5
type: release
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reference to entry: entry
release.entry id: bmse000927
release.release number: 5
release.author: BMRB
release.date: 2012-09-12Z
release.detail: Added PubChem SID 144080928 to database loop
release.submission date: 2012-02-16Z
release.type: update

bmse000927,6
type: release
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reference to entry: entry
release.entry id: bmse000927
release.release number: 6
release.author: BMRB
release.date: 2012-09-17Z
release.detail: Fixed bad reference concentrations in sample loops
release.submission date: 2012-02-16Z
release.type: update

bmse000927,7
type: release
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reference to entry: entry
release.entry id: bmse000927
release.release number: 7
release.author: BMRB
release.date: 2012-10-16Z
release.detail: Set all _Chem_comp_SMILES Types to lower case
release.submission date: 2012-02-16Z
release.type: update

bmse000927,8
type: release
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
release.entry id: bmse000927
release.release number: 8
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

bmse000927,9
type: release
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reference to entry: entry
release.entry id: bmse000927
release.release number: 9
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

bmse000927,1
type: sample
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reference to entry: entry
sample.entry id: bmse000927
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

bmse000927,1,1
type: sample component
of datablock: info:bmrb.metabolomics/bmse000927
sample component.entry id: bmse000927
sample component.id: 1
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 54
sample component.concentration val units: mM
sample component.entity id: 1
sample component.entity label: Taurocholic-acid
sample component.isotopic labeling: natural abundance
sample component.mol common name: Taurocholic acid
sample component.type: Solute
sample component.vendor: sigma/aldrich
sample component.vendor product name: Taurocholic acid sodium salt hydrate

bmse000927,2,1
type: sample component
of datablock: info:bmrb.metabolomics/bmse000927
sample component.entry id: bmse000927
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: DMSO
sample component.type: Solvent

bmse000927,3,1
type: sample component
of datablock: info:bmrb.metabolomics/bmse000927
sample component.entry id: bmse000927
sample component.id: 3
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 270
sample component.concentration val units: uM
sample component.entity id: 0
sample component.mol common name: TMS
sample component.type: Reference

bmse000927,1
type: sample condition list
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
sample condition list.entry id: bmse000927
sample condition list.id: 1
sample condition list.sf category: sample_conditions
sample condition list.sf framecode: sample_conditions_1

bmse000927,1,pH
type: sample condition variable
of datablock: info:bmrb.metabolomics/bmse000927
sample condition variable.entry id: bmse000927
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

bmse000927,1,temperature
type: sample condition variable
of datablock: info:bmrb.metabolomics/bmse000927
sample condition variable.entry id: bmse000927
sample condition variable.sample condition list id: 1
sample condition variable.type: temperature
sample condition variable.val: 298
sample condition variable.val units: K

bmse000927,1
type: software
of datablock: info:bmrb.metabolomics/bmse000927
reference to entry: entry
software.entry id: bmse000927
software.id: 1
software.name: TopSpin
software.sf category: software
software.sf framecode: software_1
software.version: 2.1

H,bmse000927,1,1,Full H
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000927
spectral dim.atom type: H
spectral dim.entry id: bmse000927
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: 8012.821

C,bmse000927,2,2,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000927
spectral dim.atom type: C
spectral dim.entry id: bmse000927
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,bmse000927,3,3,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000927
spectral dim.atom type: C
spectral dim.entry id: bmse000927
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,bmse000927,4,4,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000927
spectral dim.atom type: C
spectral dim.entry id: bmse000927
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,bmse000927,5,5,Full H
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000927
spectral dim.atom type: H
spectral dim.entry id: bmse000927
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: 5252.101

C,bmse000927,6,5,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000927
spectral dim.atom type: C
spectral dim.entry id: bmse000927
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: 22886.17

bmse000927,1,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 1
spectral transition.spectral peak list id: 1

bmse000927,2,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 2
spectral transition.spectral peak list id: 1

bmse000927,3,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 3
spectral transition.spectral peak list id: 1

bmse000927,4,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 4
spectral transition.spectral peak list id: 1

bmse000927,5,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 5
spectral transition.spectral peak list id: 1

bmse000927,6,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 6
spectral transition.spectral peak list id: 1

bmse000927,7,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 7
spectral transition.spectral peak list id: 1

bmse000927,8,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 8
spectral transition.spectral peak list id: 1

bmse000927,9,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 9
spectral transition.spectral peak list id: 1

bmse000927,10,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 10
spectral transition.spectral peak list id: 1

bmse000927,11,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 11
spectral transition.spectral peak list id: 1

bmse000927,12,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 12
spectral transition.spectral peak list id: 1

bmse000927,13,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 13
spectral transition.spectral peak list id: 1

bmse000927,14,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 14
spectral transition.spectral peak list id: 1

bmse000927,15,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 15
spectral transition.spectral peak list id: 1

bmse000927,16,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 16
spectral transition.spectral peak list id: 1

bmse000927,17,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 17
spectral transition.spectral peak list id: 1

bmse000927,18,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 18
spectral transition.spectral peak list id: 1

bmse000927,19,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 19
spectral transition.spectral peak list id: 1

bmse000927,20,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 20
spectral transition.spectral peak list id: 1

bmse000927,21,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 21
spectral transition.spectral peak list id: 1

bmse000927,22,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 22
spectral transition.spectral peak list id: 1

bmse000927,23,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 23
spectral transition.spectral peak list id: 1

bmse000927,24,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 24
spectral transition.spectral peak list id: 1

bmse000927,25,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 25
spectral transition.spectral peak list id: 1

bmse000927,26,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 26
spectral transition.spectral peak list id: 1

bmse000927,27,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 27
spectral transition.spectral peak list id: 1

bmse000927,28,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 28
spectral transition.spectral peak list id: 1

bmse000927,29,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 29
spectral transition.spectral peak list id: 1

bmse000927,30,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 30
spectral transition.spectral peak list id: 1

bmse000927,31,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 31
spectral transition.spectral peak list id: 1

bmse000927,32,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 32
spectral transition.spectral peak list id: 1

bmse000927,33,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 33
spectral transition.spectral peak list id: 1

bmse000927,34,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 34
spectral transition.spectral peak list id: 1

bmse000927,35,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 35
spectral transition.spectral peak list id: 1

bmse000927,36,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 36
spectral transition.spectral peak list id: 1

bmse000927,37,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 37
spectral transition.spectral peak list id: 1

bmse000927,38,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 38
spectral transition.spectral peak list id: 1

bmse000927,39,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 39
spectral transition.spectral peak list id: 1

bmse000927,40,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 40
spectral transition.spectral peak list id: 1

bmse000927,41,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 41
spectral transition.spectral peak list id: 1

bmse000927,42,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 42
spectral transition.spectral peak list id: 1

bmse000927,43,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 43
spectral transition.spectral peak list id: 1

bmse000927,44,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 44
spectral transition.spectral peak list id: 1

bmse000927,45,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 45
spectral transition.spectral peak list id: 1

bmse000927,46,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 46
spectral transition.spectral peak list id: 1

bmse000927,47,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 47
spectral transition.spectral peak list id: 1

bmse000927,48,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 48
spectral transition.spectral peak list id: 1

bmse000927,49,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 49
spectral transition.spectral peak list id: 1

bmse000927,50,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 50
spectral transition.spectral peak list id: 1

bmse000927,51,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 51
spectral transition.spectral peak list id: 1

bmse000927,52,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 52
spectral transition.spectral peak list id: 1

bmse000927,53,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 53
spectral transition.spectral peak list id: 1

bmse000927,54,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 54
spectral transition.spectral peak list id: 1

bmse000927,55,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 55
spectral transition.spectral peak list id: 1

bmse000927,56,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 56
spectral transition.spectral peak list id: 1

bmse000927,57,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 57
spectral transition.spectral peak list id: 1

bmse000927,58,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 58
spectral transition.spectral peak list id: 1

bmse000927,59,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 59
spectral transition.spectral peak list id: 1

bmse000927,60,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 60
spectral transition.spectral peak list id: 1

bmse000927,61,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 61
spectral transition.spectral peak list id: 1

bmse000927,62,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 62
spectral transition.spectral peak list id: 1

bmse000927,63,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 63
spectral transition.spectral peak list id: 1

bmse000927,64,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 64
spectral transition.spectral peak list id: 1

bmse000927,65,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 65
spectral transition.spectral peak list id: 1

bmse000927,66,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 66
spectral transition.spectral peak list id: 1

bmse000927,67,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 67
spectral transition.spectral peak list id: 1

bmse000927,68,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 68
spectral transition.spectral peak list id: 1

bmse000927,69,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 69
spectral transition.spectral peak list id: 1

bmse000927,70,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 70
spectral transition.spectral peak list id: 1

bmse000927,71,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 71
spectral transition.spectral peak list id: 1

bmse000927,72,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 72
spectral transition.spectral peak list id: 1

bmse000927,73,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 73
spectral transition.spectral peak list id: 1

bmse000927,74,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 74
spectral transition.spectral peak list id: 1

bmse000927,75,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 75
spectral transition.spectral peak list id: 1

bmse000927,76,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 76
spectral transition.spectral peak list id: 1

bmse000927,77,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 77
spectral transition.spectral peak list id: 1

bmse000927,78,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 78
spectral transition.spectral peak list id: 1

bmse000927,79,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 79
spectral transition.spectral peak list id: 1

bmse000927,80,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 80
spectral transition.spectral peak list id: 2

bmse000927,81,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 81
spectral transition.spectral peak list id: 2

bmse000927,82,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 82
spectral transition.spectral peak list id: 2

bmse000927,83,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 83
spectral transition.spectral peak list id: 2

bmse000927,84,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 84
spectral transition.spectral peak list id: 2

bmse000927,85,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 85
spectral transition.spectral peak list id: 2

bmse000927,86,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 86
spectral transition.spectral peak list id: 2

bmse000927,87,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 87
spectral transition.spectral peak list id: 2

bmse000927,88,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 88
spectral transition.spectral peak list id: 2

bmse000927,89,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 89
spectral transition.spectral peak list id: 2

bmse000927,90,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 90
spectral transition.spectral peak list id: 2

bmse000927,91,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 91
spectral transition.spectral peak list id: 2

bmse000927,92,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 92
spectral transition.spectral peak list id: 2

bmse000927,93,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 93
spectral transition.spectral peak list id: 2

bmse000927,94,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 94
spectral transition.spectral peak list id: 2

bmse000927,95,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 95
spectral transition.spectral peak list id: 2

bmse000927,96,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 96
spectral transition.spectral peak list id: 2

bmse000927,97,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 97
spectral transition.spectral peak list id: 2

bmse000927,98,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 98
spectral transition.spectral peak list id: 2

bmse000927,99,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 99
spectral transition.spectral peak list id: 2

bmse000927,100,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 100
spectral transition.spectral peak list id: 2

bmse000927,101,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 101
spectral transition.spectral peak list id: 2

bmse000927,102,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 102
spectral transition.spectral peak list id: 2

bmse000927,103,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition.entry id: bmse000927
spectral transition.id: 103
spectral transition.spectral peak list id: 2

bmse000927,1,1,1
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 7.7083

bmse000927,1,1,2
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 7.6974

bmse000927,1,1,3
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 7.6863

bmse000927,1,1,4
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 4.3498

bmse000927,1,1,5
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 4.3411

bmse000927,1,1,6
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 4.1306

bmse000927,1,1,7
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 4.1236

bmse000927,1,1,8
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 4.0404

bmse000927,1,1,9
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 4.0336

bmse000927,1,1,10
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 3.7826

bmse000927,1,1,11
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 3.7769

bmse000927,1,1,12
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 3.6089

bmse000927,1,1,13
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 3.3756

bmse000927,1,1,14
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 3.2952

bmse000927,1,1,15
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 3.2831

bmse000927,1,1,16
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 3.2662

bmse000927,1,1,17
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 3.2546

bmse000927,1,1,18
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 2.2540

bmse000927,1,1,19
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 2.2279

bmse000927,1,1,20
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 2.2041

bmse000927,1,1,21
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 2.1780

bmse000927,1,1,22
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 2.1692

bmse000927,1,1,23
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 2.1597

bmse000927,1,1,24
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 2.1447

bmse000927,1,1,25
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 2.1356

bmse000927,1,1,26
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 2.1208

bmse000927,1,1,27
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 2.1113

bmse000927,1,1,28
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 2.0882

bmse000927,1,1,29
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 2.0776

bmse000927,1,1,30
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 2.0673

bmse000927,1,1,31
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 2.0585

bmse000927,1,1,32
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 2.0496

bmse000927,1,1,33
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 2.0392

bmse000927,1,1,34
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 2.0293

bmse000927,1,1,35
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 2.0048

bmse000927,1,1,36
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.9901

bmse000927,1,1,37
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.9807

bmse000927,1,1,38
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.9662

bmse000927,1,1,39
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.9567

bmse000927,1,1,40
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.9502

bmse000927,1,1,41
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.9373

bmse000927,1,1,42
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.9305

bmse000927,1,1,43
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.9176

bmse000927,1,1,44
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.9089

bmse000927,1,1,45
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.9024

bmse000927,1,1,46
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.8895

bmse000927,1,1,47
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.8043

bmse000927,1,1,48
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.7929

bmse000927,1,1,49
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.7859

bmse000927,1,1,50
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.7676

bmse000927,1,1,51
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.7494

bmse000927,1,1,52
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.6522

bmse000927,1,1,53
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.6259

bmse000927,1,1,54
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.4590

bmse000927,1,1,55
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.4340

bmse000927,1,1,56
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.4092

bmse000927,1,1,57
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.3761

bmse000927,1,1,58
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.3489

bmse000927,1,1,59
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.3320

bmse000927,1,1,60
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.3265

bmse000927,1,1,61
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.3035

bmse000927,1,1,62
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.2758

bmse000927,1,1,63
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.2507

bmse000927,1,1,64
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.1749

bmse000927,1,1,65
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.1659

bmse000927,1,1,66
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.1556

bmse000927,1,1,67
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 1.1316

bmse000927,1,1,68
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 0.9704

bmse000927,1,1,69
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 0.9594

bmse000927,1,1,70
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 0.9457

bmse000927,1,1,71
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 0.9340

bmse000927,1,1,72
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 0.9224

bmse000927,1,1,73
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 0.9095

bmse000927,1,1,74
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 0.8692

bmse000927,1,1,75
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 0.8560

bmse000927,1,1,76
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 0.8388

bmse000927,1,1,77
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 0.8332

bmse000927,1,1,78
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 0.8072

bmse000927,1,1,79
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 0.5800

bmse000927,1,2,1
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 172.0778

bmse000927,1,2,2
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 70.8591

bmse000927,1,2,3
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 70.3160

bmse000927,1,2,4
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 66.1123

bmse000927,1,2,5
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 50.4846

bmse000927,1,2,6
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 45.9694

bmse000927,1,2,7
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 45.6086

bmse000927,1,2,8
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 41.3995

bmse000927,1,2,9
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 41.2265

bmse000927,1,2,10
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 35.3185

bmse000927,1,2,11
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 35.1936

bmse000927,1,2,12
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 35.0427

bmse000927,1,2,13
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 34.7470

bmse000927,1,2,14
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 34.2699

bmse000927,1,2,15
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 32.5703

bmse000927,1,2,16
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 31.4833

bmse000927,1,2,17
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 30.2743

bmse000927,1,2,18
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 28.4223

bmse000927,1,2,19
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 27.1884

bmse000927,1,2,20
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 26.0717

bmse000927,1,2,21
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
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: 22.6982

bmse000927,1,2,22
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 22
spectral transition char.chem shift val: 22.5177

bmse000927,1,2,23
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 23
spectral transition char.chem shift val: 16.9826

bmse000927,1,2,24
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition char.entry id: bmse000927
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 24
spectral transition char.chem shift val: 12.2362

bmse000927,0.95,1,1
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.95
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 1
spectral transition general char.measurement method: height

bmse000927,1.96,1,2
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 1.96
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 2
spectral transition general char.measurement method: height

bmse000927,0.96,1,3
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.96
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 3
spectral transition general char.measurement method: height

bmse000927,1.82,1,4
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 1.82
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 4
spectral transition general char.measurement method: height

bmse000927,1.83,1,5
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 1.83
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 5
spectral transition general char.measurement method: height

bmse000927,2.66,1,6
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 2.66
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 6
spectral transition general char.measurement method: height

bmse000927,2.78,1,7
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 2.78
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 7
spectral transition general char.measurement method: height

bmse000927,2.68,1,8
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 2.68
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 8
spectral transition general char.measurement method: height

bmse000927,2.74,1,9
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 2.74
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 9
spectral transition general char.measurement method: height

bmse000927,1.64,1,10
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 1.64
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 10
spectral transition general char.measurement method: height

bmse000927,1.63,1,11
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 1.63
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 11
spectral transition general char.measurement method: height

bmse000927,1.62,1,12
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 1.62
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 12
spectral transition general char.measurement method: height

bmse000927,10.94,1,13
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 10.94
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 13
spectral transition general char.measurement method: height

bmse000927,1.34,1,14
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 1.34
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 14
spectral transition general char.measurement method: height

bmse000927,2.32,1,15
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 2.32
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 15
spectral transition general char.measurement method: height

bmse000927,2.43,1,16
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 2.43
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 16
spectral transition general char.measurement method: height

bmse000927,1.49,1,17
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 1.49
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 17
spectral transition general char.measurement method: height

bmse000927,0.38,1,18
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.38
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 18
spectral transition general char.measurement method: height

bmse000927,0.95,1,19
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.95
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 19
spectral transition general char.measurement method: height

bmse000927,0.95,1,20
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.95
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 20
spectral transition general char.measurement method: height

bmse000927,0.46,1,21
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.46
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 21
spectral transition general char.measurement method: height

bmse000927,0.44,1,22
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.44
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 22
spectral transition general char.measurement method: height

bmse000927,0.43,1,23
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.43
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 23
spectral transition general char.measurement method: height

bmse000927,0.84,1,24
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.84
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 24
spectral transition general char.measurement method: height

bmse000927,0.80,1,25
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.80
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 25
spectral transition general char.measurement method: height

bmse000927,0.50,1,26
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.50
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 26
spectral transition general char.measurement method: height

bmse000927,0.45,1,27
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.45
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 27
spectral transition general char.measurement method: height

bmse000927,0.44,1,28
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.44
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 28
spectral transition general char.measurement method: height

bmse000927,0.47,1,29
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.47
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 29
spectral transition general char.measurement method: height

bmse000927,0.49,1,30
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.49
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 30
spectral transition general char.measurement method: height

bmse000927,0.87,1,31
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.87
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 31
spectral transition general char.measurement method: height

bmse000927,0.62,1,32
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.62
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 32
spectral transition general char.measurement method: height

bmse000927,0.68,1,33
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.68
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 33
spectral transition general char.measurement method: height

bmse000927,0.58,1,34
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.58
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 34
spectral transition general char.measurement method: height

bmse000927,0.45,1,35
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.45
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 35
spectral transition general char.measurement method: height

bmse000927,0.54,1,36
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.54
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 36
spectral transition general char.measurement method: height

bmse000927,0.80,1,37
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.80
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 37
spectral transition general char.measurement method: height

bmse000927,0.87,1,38
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.87
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 38
spectral transition general char.measurement method: height

bmse000927,0.61,1,39
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.61
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 39
spectral transition general char.measurement method: height

bmse000927,0.65,1,40
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.65
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 40
spectral transition general char.measurement method: height

bmse000927,0.80,1,41
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.80
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 41
spectral transition general char.measurement method: height

bmse000927,0.69,1,42
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.69
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 42
spectral transition general char.measurement method: height

bmse000927,0.77,1,43
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.77
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 43
spectral transition general char.measurement method: height

bmse000927,0.51,1,44
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.51
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 44
spectral transition general char.measurement method: height

bmse000927,0.50,1,45
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.50
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 45
spectral transition general char.measurement method: height

bmse000927,0.44,1,46
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.44
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 46
spectral transition general char.measurement method: height

bmse000927,0.98,1,47
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.98
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 47
spectral transition general char.measurement method: height

bmse000927,0.81,1,48
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.81
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 48
spectral transition general char.measurement method: height

bmse000927,1.28,1,49
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 1.28
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 49
spectral transition general char.measurement method: height

bmse000927,1.73,1,50
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 1.73
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 50
spectral transition general char.measurement method: height

bmse000927,0.98,1,51
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.98
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 51
spectral transition general char.measurement method: height

bmse000927,1.47,1,52
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 1.47
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 52
spectral transition general char.measurement method: height

bmse000927,2.16,1,53
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 2.16
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 53
spectral transition general char.measurement method: height

bmse000927,0.81,1,54
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.81
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 54
spectral transition general char.measurement method: height

bmse000927,1.78,1,55
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 1.78
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 55
spectral transition general char.measurement method: height

bmse000927,1.62,1,56
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 1.62
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 56
spectral transition general char.measurement method: height

bmse000927,1.86,1,57
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 1.86
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 57
spectral transition general char.measurement method: height

bmse000927,2.55,1,58
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 2.55
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 58
spectral transition general char.measurement method: height

bmse000927,1.23,1,59
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 1.23
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 59
spectral transition general char.measurement method: height

bmse000927,1.45,1,60
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 1.45
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 60
spectral transition general char.measurement method: height

bmse000927,0.82,1,61
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.82
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 61
spectral transition general char.measurement method: height

bmse000927,1.04,1,62
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 1.04
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 62
spectral transition general char.measurement method: height

bmse000927,1.78,1,63
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 1.78
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 63
spectral transition general char.measurement method: height

bmse000927,0.91,1,64
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.91
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 64
spectral transition general char.measurement method: height

bmse000927,0.73,1,65
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.73
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 65
spectral transition general char.measurement method: height

bmse000927,1.20,1,66
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 1.20
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 66
spectral transition general char.measurement method: height

bmse000927,0.83,1,67
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.83
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 67
spectral transition general char.measurement method: height

bmse000927,0.63,1,68
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.63
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 68
spectral transition general char.measurement method: height

bmse000927,0.64,1,69
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.64
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 69
spectral transition general char.measurement method: height

bmse000927,0.67,1,70
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.67
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 70
spectral transition general char.measurement method: height

bmse000927,0.77,1,71
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.77
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 71
spectral transition general char.measurement method: height

bmse000927,6.71,1,72
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 6.71
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 72
spectral transition general char.measurement method: height

bmse000927,6.39,1,73
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 6.39
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 73
spectral transition general char.measurement method: height

bmse000927,1.48,1,74
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 1.48
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 74
spectral transition general char.measurement method: height

bmse000927,1.29,1,75
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 1.29
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 75
spectral transition general char.measurement method: height

bmse000927,0.96,1,76
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.96
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 76
spectral transition general char.measurement method: height

bmse000927,0.93,1,77
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.93
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 77
spectral transition general char.measurement method: height

bmse000927,15.00,1,78
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 15.00
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 78
spectral transition general char.measurement method: height

bmse000927,14.49,1,79
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 14.49
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 79
spectral transition general char.measurement method: height

bmse000927,0.57,2,1
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.57
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 1
spectral transition general char.measurement method: height

bmse000927,0.40,2,2
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.40
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 2
spectral transition general char.measurement method: height

bmse000927,0.39,2,3
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.39
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 3
spectral transition general char.measurement method: height

bmse000927,0.41,2,4
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.41
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 4
spectral transition general char.measurement method: height

bmse000927,0.72,2,5
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.72
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 5
spectral transition general char.measurement method: height

bmse000927,0.47,2,6
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.47
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 6
spectral transition general char.measurement method: height

bmse000927,0.69,2,7
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.69
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 7
spectral transition general char.measurement method: height

bmse000927,0.40,2,8
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.40
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 8
spectral transition general char.measurement method: height

bmse000927,0.49,2,9
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.49
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 9
spectral transition general char.measurement method: height

bmse000927,0.67,2,10
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.67
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 10
spectral transition general char.measurement method: height

bmse000927,0.31,2,11
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.31
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 11
spectral transition general char.measurement method: height

bmse000927,0.50,2,12
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.50
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 12
spectral transition general char.measurement method: height

bmse000927,0.34,2,13
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.34
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 13
spectral transition general char.measurement method: height

bmse000927,0.77,2,14
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.77
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 14
spectral transition general char.measurement method: height

bmse000927,0.43,2,15
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.43
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 15
spectral transition general char.measurement method: height

bmse000927,0.35,2,16
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.35
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 16
spectral transition general char.measurement method: height

bmse000927,0.30,2,17
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.30
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 17
spectral transition general char.measurement method: height

bmse000927,0.33,2,18
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.33
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 18
spectral transition general char.measurement method: height

bmse000927,0.31,2,19
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.31
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 19
spectral transition general char.measurement method: height

bmse000927,0.49,2,20
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.49
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 20
spectral transition general char.measurement method: height

bmse000927,0.33,2,21
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.33
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 21
spectral transition general char.measurement method: height

bmse000927,0.86,2,22
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.86
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 22
spectral transition general char.measurement method: height

bmse000927,0.83,2,23
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.83
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 23
spectral transition general char.measurement method: height

bmse000927,0.82,2,24
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000927
spectral transition general char.entry id: bmse000927
spectral transition general char.intensity val: 0.82
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 24
spectral transition general char.measurement method: height

bmse000927,1,Collection
type: task
of datablock: info:bmrb.metabolomics/bmse000927
task.entry id: bmse000927
task.software id: 1
task.task: Collection

bmse000927,1,Processing
type: task
of datablock: info:bmrb.metabolomics/bmse000927
task.entry id: bmse000927
task.software id: 1
task.task: Processing

bmse000927,1,Data analysis
type: task
of datablock: info:bmrb.metabolomics/bmse000927
task.entry id: bmse000927
task.software id: 1
task.task: Data analysis

bmse000927,1,Peak picking
type: task
of datablock: info:bmrb.metabolomics/bmse000927
task.entry id: bmse000927
task.software id: 1
task.task: Peak picking

bmse000927,Bruker Biospin,1
type: vendor
of datablock: info:bmrb.metabolomics/bmse000927
vendor.entry id: bmse000927
vendor.name: Bruker Biospin
vendor.software id: 1