MassBank Record: KO001727



 Pyridoxamine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001727
RECORD_TITLE: Pyridoxamine; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P116

CH$NAME: Pyridoxamine CH$NAME: PM CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H12N2O2 CH$EXACT_MASS: 168.08988 CH$SMILES: OCc(c1)c(CN)c(O)c(C)n1 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$LINK: CHEBI 16410 CH$LINK: CHEMPDB PXM CH$LINK: KEGG C00534 CH$LINK: NIKKAJI J3.891A CH$LINK: PUBCHEM SID:3816
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 167 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-0900000000-c7a2dec0f7555dcc5ef7 PK$NUM_PEAK: 39 PK$PEAK: m/z int. rel.int. 41.300 29703.0 4 45.000 108911.0 13 59.200 336634.0 42 72.700 49505.0 6 77.100 29703.0 4 78.700 29703.0 4 79.200 49505.0 6 79.900 188119.0 23 81.000 24752.5 3 83.200 89109.0 11 85.400 386139.0 48 92.100 391089.5 48 92.400 89109.0 11 93.400 54455.5 7 93.900 108911.0 13 96.000 24752.5 3 103.900 29703.0 4 105.800 39604.0 5 107.300 727723.5 90 108.000 4985153.5 615 109.800 44554.5 5 119.100 54455.5 7 120.400 222772.5 27 121.100 8099018.0 999 122.200 4920797.0 607 131.800 49505.0 6 132.700 262376.5 32 133.900 14851.5 2 135.100 1410892.5 174 136.200 74257.5 9 137.300 1722774.0 213 138.200 935644.5 115 147.200 1529704.5 189 148.300 49505.0 6 148.900 183168.5 23 150.200 1168318.0 144 150.700 163366.5 20 165.200 84158.5 10 167.200 475248.0 59 //