ACCESSION: MSBNK-Keio_Univ-KO003924
RECORD_TITLE: Prazosin; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-001i-0019000000-09972bca73a43a1b73ab
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  82.400 29703.0 7
  94.700 19802.0 5
  119.800 19802.0 5
  123.100 19802.0 5
  131.800 14851.5 3
  135.900 19802.0 5
  138.300 148515.0 34
  161.000 54455.5 13
  162.100 64356.5 15
  164.500 19802.0 5
  168.300 19802.0 5
  202.100 148515.0 34
  247.600 529703.5 123
  274.200 14851.5 3
  336.200 59406.0 14
  341.300 49505.0 11
  366.600 232673.5 54
  384.600 4311885.5 999
//