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MassBank Record: PT203320

Gravidox, Vitamin B6, Adermine, 5-Hydroxy-6-methyl-3,4-pyridinedimethanol, Pyridoxol, Hydoxin, 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol, Naturetime B6, -Hydroxy-4,5-dimethylol-alpha-picoline, 2-Methyl-3-hydroxy-4,5-dihydroxymethylpyridine, Pyridoxine, Pyroxin, Pridoxine; LC-ESI-QTOF; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: PT203320
RECORD_TITLE: Gravidox, Vitamin B6, Adermine, 5-Hydroxy-6-methyl-3,4-pyridinedimethanol, Pyridoxol, Hydoxin, 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol, Naturetime B6, -Hydroxy-4,5-dimethylol-alpha-picoline, 2-Methyl-3-hydroxy-4,5-dihydroxymethylpyridine, Pyridoxine, Pyroxin, Pridoxine; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC-BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Gravidox
CH$NAME: Vitamin B6
CH$NAME: Adermine
CH$NAME: 5-Hydroxy-6-methyl-3,4-pyridinedimethanol
CH$NAME: Pyridoxol
CH$NAME: Hydoxin
CH$NAME: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
CH$NAME: Naturetime B6
CH$NAME: -Hydroxy-4,5-dimethylol-alpha-picoline
CH$NAME: 2-Methyl-3-hydroxy-4,5-dihydroxymethylpyridine
CH$NAME: Pyridoxine
CH$NAME: Pyroxin
CH$NAME: Pridoxine
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Vitamin
CH$FORMULA: C8H11NO3
CH$EXACT_MASS: 169.18
CH$SMILES: CC1=NC=C(C(=C1O)CO)CO
CH$IUPAC: InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
CH$LINK: CAS 65-23-6
CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 168.06609

PK$SPLASH: splash10-0v4i-0900000000-f9f378af3d47ab006806
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  92.0508 9.346 62
  107.0385 21.66 143
  108.0459 53.91 356
  121.0541 28.27 187
  122.0613 100.0 660
  138.0564 32.54 215
  150.0563 151.3 999
  162.8412 8.297 55
  166.0502 39.71 262
  168.0661 76.37 504
//

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