ACCESSION: MSBNK-Keio_Univ-KO009169
RECORD_TITLE: Prazosin; LC-ESI-IT; MS3; m/z: 384/247; [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 1.00/0.90

MS$FOCUSED_ION: PRECURSOR_M/Z 384/247
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-001i-0090000000-dc4deeb1fb672eb38968
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  108.0 1.25 1
  160.9 2.08 1
  169.1 5.50 3
  173.9 10.58 6
  176.1 1.67 1
  177.0 5.75 4
  178.1 28.41 17
  186.1 23.50 14
  187.0 1.67 1
  189.0 11.08 7
  190.1 12.25 8
  190.9 23.42 14
  203.1 253.29 156
  204.1 58.41 36
  205.1 56.74 35
  206.2 33.41 21
  207.0 4.83 3
  213.0 16.16 10
  214.0 16.50 10
  216.3 10.50 6
  217.0 11.58 7
  219.1 29.33 18
  220.1 25.83 16
  221.1 5.83 4
  222.0 17.58 11
  230.2 5.17 3
  231.1 1258.45 773
  232.1 1626.40 999
  247.1 69.25 43
  416.7 7.75 5
//