MassBank Record: MSBNK-Keio_Univ-KO003926
ACCESSION: MSBNK-Keio_Univ-KO003926
RECORD_TITLE: Prazosin; LC-ESI-QQ; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 384
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0002-7491000000-4258e4db8045e56fe90f
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
43.300 9901.0 13
70.200 29703.0 39
95.100 762377.0 999
123.900 19802.0 26
138.100 287129.0 376
161.000 29703.0 39
161.400 19802.0 26
162.100 24752.5 32
164.100 143564.5 188
203.100 59406.0 78
205.000 39604.0 52
231.100 386139.0 506
232.300 118812.0 156
247.500 400990.5 525
300.600 19802.0 26
336.800 24752.5 32
350.100 64356.5 84
368.100 49505.0 65
//