ACCESSION: MSBNK-Keio_Univ-KO003922
RECORD_TITLE: Prazosin; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-001i-0009000000-9da934e12af818eb0a08
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  81.800 34653.5 3
  161.100 113861.5 8
  162.100 118812.0 9
  165.900 24752.5 2
  168.000 24752.5 2
  176.400 69307.0 5
  198.100 138614.0 10
  200.400 79208.0 6
  201.600 74257.5 6
  202.300 311881.5 23
  217.700 29703.0 2
  270.200 24752.5 2
  312.200 39604.0 3
  324.800 14851.5 1
  330.800 19802.0 1
  349.500 34653.5 3
  367.600 84158.5 6
  384.500 13386152.0 999
//