ACCESSION: MSBNK-Keio_Univ-KO009144
RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-IT; MS3; m/z: 249/232; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P113
COMMENT: [MS2] KO009143

CH$NAME: Pyridoxamine 5'-phospate
CH$NAME: Pyridoxamine phosphate
CH$NAME: Pyridoxamine 5-phosphate
CH$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$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70/0.70

MS$FOCUSED_ION: PRECURSOR_M/Z 249/232
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-001i-0900000000-1374648e1259df17fc68
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  77.1 539.71 7
  78.2 141.05 2
  79.1 670.11 9
  80.2 23.22 1
  88.4 4.65 1
  92.1 25.65 1
  94.2 4.52 1
  95.1 262.14 3
  99.1 101.48 1
  106.1 4601.39 59
  107.1 80.96 1
  119.0 38.35 1
  121.1 28.09 1
  124.1 21.91 1
  133.0 97.79 1
  134.1 77456.65 999
  135.0 113.01 1
  135.8 15.61 1
  142.9 15.30 1
  149.2 11.13 1
  150.9 4.61 1
  152.1 1024.22 13
  154.0 5.00 1
  157.1 22.52 1
  158.2 26.57 1
  161.0 146.35 2
  169.1 27.13 1
  171.1 129.26 2
  174.8 16.78 1
  183.1 17.61 1
  185.0 12.96 1
  189.2 63.22 1
  203.1 40.22 1
  204.1 128.61 2
  213.9 441.62 6
  231.1 76.40 1
  232.0 516.50 7
  277.1 6.35 1
//