ACCESSION: MSBNK-Keio_Univ-KO009167
RECORD_TITLE: Prazosin; LC-ESI-IT; MS3; m/z: 384/341; [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 P191
COMMENT: [MS2] KO009165

CH$NAME: Prazosin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₁N₅O₄
CH$EXACT_MASS: 383.15935
CH$SMILES: COc(c1)c(OC)cc(c(N)4)c1nc(n4)N(C3)CCN(C3)C(=O)c(c2)occ2
CH$IUPAC: InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
CH$LINK: CAS 19216-56-9
CH$LINK: KEGG C07368
CH$LINK: NIKKAJI J10.000E
CH$LINK: PUBCHEM SID:9572
CH$LINK: INCHIKEY IENZQIKPVFGBNW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4049082

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 1.00/1.00

MS$FOCUSED_ION: PRECURSOR_M/Z 384/341
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-00dj-0697000000-dd390e3f407ff53569af
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  94.2 35.91 43
  95.0 7.92 9
  110.1 2.16 3
  120.0 842.31 999
  138.1 9.75 12
  151.0 2.17 3
  160.8 2.67 3
  165.0 5.00 6
  177.1 9.75 12
  180.0 8.25 10
  203.1 52.57 62
  204.1 71.83 85
  205.1 4.00 5
  206.0 4.50 5
  214.1 4.83 6
  214.9 2.17 3
  220.0 1.00 1
  222.1 116.31 138
  229.0 1.17 1
  230.1 24.00 28
  231.0 16.33 19
  232.1 67.91 81
  233.1 10.75 13
  244.0 0.92 1
  245.1 28.16 33
  246.1 12.08 14
  247.1 231.04 274
  248.1 211.12 250
  249.1 1.17 1
  251.1 12.75 15
  257.1 2.83 3
  258.0 5.75 7
  266.9 2.17 3
  268.9 2.83 3
  270.2 1.42 2
  271.0 7.59 9
  272.2 16.66 20
  273.1 111.16 132
  280.2 2.08 2
  283.2 8.58 10
  285.1 7.75 9
  290.1 4.08 5
  296.2 5.75 7
  297.1 121.90 145
  298.1 9.33 11
  306.0 2.42 3
  308.1 5.91 7
  313.2 61.98 74
  322.1 16.84 20
  323.2 26.49 31
  324.1 1.58 2
  325.1 317.72 377
  326.2 142.64 169
  340.2 39.49 47
  341.2 367.14 435
  394.0 4.17 5
//