MassBank Record: MSBNK-Keio_Univ-KO001619
ACCESSION: MSBNK-Keio_Univ-KO001619
RECORD_TITLE: Pyridoxal 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 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
CH$LINK: INCHIKEY
NGVDGCNFYWLIFO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4048351
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 246
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-9000000000-4c05178b1645bf01f3fa
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
42.100 19802.0 1
59.100 153465.5 11
72.100 574258.0 41
77.300 39604.0 3
79.000 14044568.5 999
91.200 113861.5 8
92.300 500000.5 36
95.900 19802.0 1
96.800 1648516.5 117
103.000 1183169.5 84
108.300 94059.5 7
118.000 29703.0 2
138.200 24752.5 2
147.400 217822.0 15
163.800 14851.5 1
//