ACCESSION: MSBNK-Keio_Univ-KO003925
RECORD_TITLE: Prazosin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P191

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$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 384
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0002-1597000000-48d7b8ba991427bab5c2
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  58.800 19802.0 19
  86.400 24752.5 24
  95.200 277228.0 269
  105.700 19802.0 19
  120.200 118812.0 115
  133.700 19802.0 19
  134.000 34653.5 34
  138.200 475248.0 461
  161.200 44554.5 43
  162.400 24752.5 24
  164.200 207921.0 202
  176.000 14851.5 14
  203.000 39604.0 38
  220.600 39604.0 38
  229.200 14851.5 14
  230.900 54455.5 53
  231.600 74257.5 72
  232.500 99010.0 96
  247.400 1029704.0 999
  273.500 79208.0 77
  288.600 29703.0 29
  316.200 44554.5 43
  321.400 29703.0 29
  336.600 69307.0 67
  350.700 113861.5 110
  366.400 242574.5 235
  368.500 212871.5 207
  369.100 69307.0 67
  384.700 490099.5 475
//