MassBank Record: KO001616



 Pyridoxal 5-phosphate; 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: KO001616
RECORD_TITLE: Pyridoxal 5-phosphate; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 246 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03dj-9800000000-9313aa9cbf19bc6311c5 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 58.900 123762.5 5 79.000 4529707.5 181 88.400 14851.5 1 92.100 183168.5 7 97.000 23099033.0 922 99.000 29703.0 1 103.000 64356.5 3 120.000 297030.0 12 135.900 44554.5 2 138.400 19802.0 1 146.000 168317.0 7 146.900 1584160.0 63 148.400 287129.0 11 164.200 25024777.5 999 166.300 113861.5 5 186.000 89109.0 4 200.300 49505.0 2 210.000 24752.5 1 213.300 128713.0 5 218.300 193069.5 8 227.900 574258.0 23 228.600 59406.0 2 246.100 1698021.5 68 //