MassBank Record: KO001724



 Pyridoxamine 5'-phosphate; 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: KO001724
RECORD_TITLE: Pyridoxamine 5'-phosphate; 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 P113

CH$NAME: Pyridoxamine 5'-phosphate CH$NAME: Pyridoxamine phosphate CH$NAME: Pyridoxamine 5-phosphate CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H13N2O5P CH$EXACT_MASS: 248.05621 CH$SMILES: NCc(c(O)1)c(cnc(C)1)COP(O)(O)=O CH$IUPAC: InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14) CH$LINK: CAS 529-96-4 CH$LINK: CHEBI 18335 CH$LINK: CHEMPDB PMP CH$LINK: KEGG C00647 CH$LINK: NIKKAJI J11.364F CH$LINK: PUBCHEM SID:3919
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 247 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-9000000000-a5aaa4d9b60dc24fd818 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 59.300 64356.5 23 76.900 29703.0 11 79.000 2821785.0 999 97.100 232673.5 82 120.000 34653.5 12 120.900 89109.0 32 122.300 118812.0 42 150.000 99010.0 35 //