MassBank Record: MSBNK-RIKEN_ReSpect-PT200990
ACCESSION: MSBNK-RIKEN_ReSpect-PT200990
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: 2008.07.28
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$NAME: 4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol dihydrochloride
CH$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$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$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$FOCUSED_ION: PRECURSOR_M/Z 167.08207
PK$SPLASH: splash10-01b9-0900000000-f0cc74a9651686c1610c
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
107.0363 5.022 70
108.0441 20.38 283
121.0527 24.82 344
122.0598 23.67 329
135.0582 6.073 84
137.0712 17.19 239
138.056 9.121 127
147.0544 7.951 110
150.0559 13.1 182
151.0086 4.467 62
166.8352 17.6 244
167.0821 71.98 999
//