MassBank Record: MSBNK-Keio_Univ-KO003922
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
//