MassBank Record: MSBNK-Waters-WA002466
ACCESSION: MSBNK-Waters-WA002466
RECORD_TITLE: Prazosin; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
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: INCHIKEY
IENZQIKPVFGBNW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4049082
AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 12.550 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-001s-0269000000-e9cf070e470bc763cfdd
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
120 51 51
138 255 255
139 12 12
164 82 82
205 12 12
220 16 16
221 55 55
222 16 16
231 43 43
232 71 71
233 35 35
245 24 24
247 842 842
248 118 118
249 12 12
273 24 24
274 24 24
288 47 47
315 20 20
316 63 63
341 74 74
342 12 12
350 12 12
366 137 137
367 27 27
368 67 67
369 47 47
384 999 999
385 247 247
386 35 35
//