MassBank Record: MSBNK-Keio_Univ-KO003886
ACCESSION: MSBNK-Keio_Univ-KO003886
RECORD_TITLE: Pyridoxamine 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 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
CH$LINK: INCHIKEY
ZMJGSOSNSPKHNH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3046825
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 249
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-053r-3900000000-262c33692f3c3bc194a2
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
64.700 49505.0 41
73.900 39604.0 32
77.100 99010.0 81
79.000 326733.0 268
81.100 143564.5 118
83.400 39604.0 32
91.700 34653.5 28
93.400 29703.0 24
94.800 24752.5 20
104.700 29703.0 24
106.100 797030.5 654
120.700 54455.5 45
124.400 29703.0 24
133.200 34653.5 28
134.200 1217823.0 999
//