ACCESSION: MSBNK-Keio_Univ-KO009168
RECORD_TITLE: Prazosin; LC-ESI-IT; MS3; m/z: 384/316; [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$FOCUSED_ION: PRECURSOR_M/Z 384/316
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-00dj-0091000000-ad3fe230bc672e4d8aa5
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  94.7 3.58 3
  112.2 12.83 12
  113.1 7.08 7
  116.1 5.33 5
  144.1 5.42 5
  146.1 2.50 2
  147.1 3.17 3
  161.0 21.75 21
  163.1 1.58 2
  175.1 12.58 12
  177.1 14.58 14
  178.1 7.17 7
  186.9 1.25 1
  189.1 56.49 54
  190.1 38.58 37
  191.1 10.58 10
  203.1 3.08 3
  204.0 46.32 44
  205.1 171.15 164
  206.2 8.83 8
  206.9 1.75 2
  212.1 21.16 20
  215.1 6.41 6
  216.1 11.17 11
  216.9 4.83 5
  220.1 94.07 90
  221.1 33.82 32
  222.1 44.24 42
  223.1 15.00 14
  224.2 3.00 3
  229.2 25.83 25
  230.1 6.41 6
  231.1 41.41 40
  232.1 136.40 131
  233.3 13.50 13
  235.1 2.42 2
  240.0 1.58 2
  241.0 3.33 3
  242.0 2.75 3
  244.1 7.42 7
  245.1 70.90 68
  246.2 19.00 18
  247.1 1018.88 977
  248.1 6.33 6
  256.1 22.50 22
  257.1 145.90 140
  258.0 139.25 134
  259.2 37.41 36
  261.0 20.83 20
  271.2 48.49 47
  272.2 94.32 90
  273.1 643.68 617
  274.2 1041.64 999
  282.1 22.33 21
  283.1 8.25 8
  287.1 3.58 3
  288.2 69.58 67
  289.2 5.75 6
  290.2 11.83 11
  298.3 12.42 12
  299.1 1.92 2
  300.1 168.07 161
  301.1 223.81 215
  316.2 176.55 169
//