ACCESSION: MSBNK-Keio_Univ-KO009143
RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-IT; MS2; m/z: 249; [M+H]+
DATE: 2011.05.10 (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

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$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70

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

PK$SPLASH: splash10-001i-0190000000-d1a5e6c1c22d70906b6c
PK$ANNOTATION: m/z struct. num formula mass
  151.1 1 1 C8H11N2O 151.08714
  232.0 1 1 C8H11NO5P 232.03748
PK$NUM_PEAK: 106
PK$PEAK: m/z int. rel.int.
  71.2 25.28 1
  75.2 11.50 1
  77.1 28.11 1
  79.2 118.20 1
  81.2 68.22 1
  82.1 56.36 1
  83.2 6.36 1
  85.1 86.78 1
  91.2 18.70 1
  93.0 9.44 1
  95.2 211.10 2
  96.2 49.20 1
  97.1 58.11 1
  99.2 33.28 1
  105.1 71.34 1
  106.1 374.28 3
  107.1 41.11 1
  109.1 327.43 3
  111.1 13.42 1
  113.2 17.50 1
  114.0 10.36 1
  115.0 126.75 1
  117.2 20.36 1
  118.1 80.87 1
  119.0 97.34 1
  120.1 30.86 1
  121.1 171.00 1
  122.1 33.70 1
  123.1 601.48 5
  124.1 71.92 1
  125.1 24.72 1
  127.1 111.31 1
  129.1 17.83 1
  131.1 187.73 2
  133.0 144.73 1
  134.1 5306.56 44
  135.1 168.81 1
  137.1 191.40 2
  139.1 66.06 1
  141.1 24.17 1
  141.9 16.97 1
  143.1 34.95 1
  144.1 18.97 1
  145.1 74.78 1
  147.1 229.84 2
  148.1 3.39 1
  149.0 121.23 1
  151.1 11843.55 97
  152.1 101.18 1
  153.1 26.83 1
  156.1 21.98 1
  157.1 85.59 1
  159.1 70.95 1
  160.0 7.75 1
  161.1 308.98 3
  163.1 31.70 1
  165.1 152.23 1
  166.9 32.86 1
  169.0 72.25 1
  170.2 55.60 1
  171.1 117.14 1
  173.1 157.59 1
  175.0 190.74 2
  176.0 138.32 1
  177.1 83.54 1
  178.1 9.19 1
  179.1 255.66 2
  180.1 11.61 1
  183.1 8.44 1
  185.1 85.09 1
  187.1 65.34 1
  189.2 523.38 4
  190.0 36.45 1
  191.1 232.59 2
  193.1 767.18 6
  195.1 18.94 1
  198.3 15.19 1
  200.1 6.03 1
  203.1 296.37 2
  205.1 294.14 2
  206.1 14.53 1
  207.1 308.38 3
  209.0 5.47 1
  211.2 48.59 1
  211.9 13.50 1
  213.1 432.25 4
  214.0 19.19 1
  217.1 152.76 1
  219.0 40.11 1
  221.3 234.12 2
  225.0 65.61 1
  227.0 29.86 1
  228.7 6.83 1
  230.2 13.97 1
  231.2 1626.63 13
  232.0 121600.77 999
  232.9 194.03 2
  234.1 20.50 1
  234.9 21.00 1
  243.0 21.08 1
  245.2 116.48 1
  246.9 35.62 1
  249.1 158.84 1
  250.9 32.34 1
  254.9 5.33 1
  276.9 24.67 1
//