MassBank Record: KO001726



 Pyridoxamine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001726
RECORD_TITLE: Pyridoxamine; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 167 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014r-0900000000-f5aea0fa928eb266a79d PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 45.300 123762.5 7 59.100 381188.5 21 79.400 24752.5 1 83.100 118812.0 7 85.100 1267328.0 70 92.000 113861.5 6 94.300 14851.5 1 102.300 14851.5 1 106.700 123762.5 7 108.100 1787130.5 99 110.100 39604.0 2 121.100 1920794.0 107 121.900 4757430.5 264 123.900 34653.5 2 131.600 24752.5 1 135.100 1633665.0 91 137.000 6376244.0 354 138.200 2856438.5 159 147.000 1871289.0 104 148.900 965347.5 54 150.300 2900993.0 161 151.000 420792.5 23 165.300 371287.5 21 167.200 17970315.0 999 //