MassBank Record: KO001725



 Pyridoxamine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001725
RECORD_TITLE: Pyridoxamine; LC-ESI-QQ; MS2; CE:10 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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 167 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-0900000000-f1da14360063a04c11b4 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 44.800 79208.0 1 59.000 386139.0 6 72.600 19802.0 1 74.600 9901.0 1 78.900 54455.5 1 85.200 935644.5 15 93.200 64356.5 1 105.400 39604.0 1 106.800 34653.5 1 120.700 113861.5 2 121.500 54455.5 1 122.200 118812.0 2 123.600 39604.0 1 131.000 54455.5 1 133.900 24752.5 1 137.300 207921.0 3 138.300 49505.0 1 146.800 84158.5 1 150.300 217822.0 3 150.500 34653.5 1 166.000 34653.5 1 167.200 62772340.0 999 //