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MassBank Record: KO001720

Pyridoxamine 5'-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO001720
RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-QQ; MS2; CE:10 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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 247
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0002-0090000000-475764d1b4ff6c463f91
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  58.800 29703.0 3
  110.100 49505.0 6
  115.000 24752.5 3
  121.300 19802.0 2
  128.800 79208.0 9
  164.500 24752.5 3
  165.300 420792.5 47
  170.800 19802.0 2
  172.500 29703.0 3
  179.300 39604.0 4
  187.100 138614.0 15
  209.200 34653.5 4
  211.000 29703.0 3
  218.300 227723.0 25
  229.800 975248.5 109
  230.200 3514855.0 391
  247.300 8975256.5 999
//

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