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MassBank Record: PT100990

4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol dihydrochloride, 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol, Pyridoxylamine dihydrochloride, Pyridoxamine dihydrochloride ; LC-ESI-QTOF; MS2

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

ACCESSION: PT100990
RECORD_TITLE: 4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol dihydrochloride, 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol, Pyridoxylamine dihydrochloride, Pyridoxamine dihydrochloride ; LC-ESI-QTOF; MS2
DATE: 2008.07.24
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$NAME: 4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol dihydrochloride
CH$NAME: 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
CH$NAME: Pyridoxylamine dihydrochloride
CH$NAME: Pyridoxamine dihydrochloride
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Pyridoxamine
CH$FORMULA: C8H12N2O2
CH$EXACT_MASS: 168.196
CH$SMILES: CC1=NC=C(C(=C1O)CN)CO
CH$IUPAC: InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3
CH$LINK: CAS 85-87-0
CH$LINK: INCHIKEY NHZMQXZHNVQTQA-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 POSITIVE
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 169.09767

PK$SPLASH: splash10-014i-0900000000-6b5f1d606df91ae52eb4
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  152.0691 150.5 163
  169.0946 922.5 999
//

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