MassBank Record: KO001618



 Pyridoxal 5-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001618
RECORD_TITLE: Pyridoxal 5-phosphate; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 246 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004j-9200000000-7e6bd8c298613e59fb5d PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 45.300 24752.5 2 54.700 14851.5 1 58.900 143564.5 11 63.000 89109.0 7 72.100 1024753.5 79 78.900 12905953.5 999 90.800 297030.0 23 92.300 1138615.0 88 96.900 6004956.5 465 103.000 3396043.0 263 107.900 49505.0 4 118.000 94059.5 7 119.900 69307.0 5 147.000 2143566.5 166 148.300 49505.0 4 164.300 316832.0 25 //