MassBank Record: MSBNK-Keio_Univ-KO003923
ACCESSION: MSBNK-Keio_Univ-KO003923
RECORD_TITLE: Prazosin; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 384
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-0009000000-85316e57dd3fefac386d
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
81.800 39604.0 5
114.000 34653.5 4
117.000 9901.0 1
124.300 29703.0 3
149.000 19802.0 2
162.300 198020.0 23
167.800 39604.0 5
176.000 89109.0 10
183.400 19802.0 2
197.900 49505.0 6
199.400 24752.5 3
202.000 99010.0 11
234.400 24752.5 3
255.100 9901.0 1
279.100 14851.5 2
366.200 9901.0 1
384.500 8658424.5 999
//