MassBank Record: KO001617



 Pyridoxal 5-phosphate; 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: KO001617
RECORD_TITLE: Pyridoxal 5-phosphate; 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 P038

CH$NAME: Pyridoxal 5-phosphate CH$NAME: Pyridoxal 5'-phosphate CH$NAME: Pyridoxal phosphate CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H10NO6P CH$EXACT_MASS: 247.02457 CH$SMILES: O=Cc(c(O)1)c(cnc(C)1)COP(O)(O)=O CH$IUPAC: InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14) CH$LINK: CAS 54-47-7 CH$LINK: CHEBI 18405 CH$LINK: CHEMPDB PLP CH$LINK: KEGG C00018 CH$LINK: NIKKAJI J10.690I CH$LINK: PUBCHEM SID:3320
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 246 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-9500000000-7ce120a58879e2214ce5 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 59.100 173267.5 12 72.200 975248.5 68 78.800 8826741.5 620 91.000 198020.0 14 92.300 1128714.0 79 97.200 14232687.5 999 102.800 2009903.0 141 120.400 217822.0 15 136.200 34653.5 2 137.900 118812.0 8 143.900 14851.5 1 146.100 94059.5 7 147.200 7193076.5 505 147.900 252475.5 18 164.200 5940600.0 417 166.000 153465.5 11 186.100 44554.5 3 200.300 54455.5 4 200.500 14851.5 1 213.000 24752.5 2 228.000 14851.5 1 246.100 29703.0 2 //