MassBank Record: KO001729



 Pyridoxamine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001729
RECORD_TITLE: Pyridoxamine; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 167 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0ab9-2900000000-da43b1a049d349d91831 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 50.700 29703.0 67 59.200 99010.0 222 66.100 34653.5 78 67.400 24752.5 56 77.000 14851.5 33 78.700 54455.5 122 79.300 34653.5 78 80.000 103960.5 233 89.000 99010.0 222 92.500 34653.5 78 93.300 39604.0 89 104.100 34653.5 78 106.800 445545.0 999 108.100 410891.5 921 118.500 14851.5 33 119.500 24752.5 56 120.900 410891.5 921 122.200 287129.0 644 132.000 29703.0 67 133.200 44554.5 100 134.900 34653.5 78 146.100 44554.5 100 147.000 24752.5 56 150.300 99010.0 222 //