MassBank MassBank Search Contents Download

MassBank Record: MSBNK-RIKEN_ReSpect-PS033203

Gravidox, Vitamin B6, Adermine, 5-Hydroxy-6-methyl-3,4-pyridinedimethanol, Pyridoxol, Hydoxin, Naturetime B6, -Hydroxy-4,5-dimethylol-alpha-picoline, 2-Methyl-3-hydroxy-4,5-dihydroxymethylpyridine, Pyridoxine, Pyroxin, Pridoxine; LC-ESI-QQ; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PS033203
RECORD_TITLE: Gravidox, Vitamin B6, Adermine, 5-Hydroxy-6-methyl-3,4-pyridinedimethanol, Pyridoxol, Hydoxin, Naturetime B6, -Hydroxy-4,5-dimethylol-alpha-picoline, 2-Methyl-3-hydroxy-4,5-dihydroxymethylpyridine, Pyridoxine, Pyroxin, Pridoxine; LC-ESI-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2008 Plant Science Center, RIKEN
PUBLICATION: Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37–47. DOI:10.1093/pcp/pcn183
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: Source compound SIGMA, P5669.
COMMENT: PRIMe compound in-house ID 332
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: All users must cite follwing literature in publication(s).

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$NAME: Naturetime B6
CH$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$LINK: KEGG C00314
CH$LINK: PUBCHEM CID:1054
CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 170.19

PK$SPLASH: splash10-0ue9-0900000000-95bc055ebd6254be19b8
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  79.0 2167.0 39
  131.0 1706.0 31
  133.0 11816.0 215
  134.0 54843.0 999
  150.0 5653.0 103
  151.0 19109.0 348
  152.0 46253.0 843
  153.0 2230.0 41
  169.0 3782.0 69
  170.0 4945.0 90
//

Imprint Feedback
system version 2.2
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze
de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo