MassBank Record: MSBNK-Waters-WA001420
ACCESSION: MSBNK-Waters-WA001420
RECORD_TITLE: Losartan; LC-ESI-Q; MS; POS; 45 V, 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Losartan
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H23ClN6O
CH$EXACT_MASS: 422.16219
CH$SMILES: CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl
CH$IUPAC: InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
CH$LINK: CAS
114798-26-4
CH$LINK: INCHIKEY
PSIFNNKUMBGKDQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7023227
AC$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$CHROMATOGRAPHY: RETENTION_TIME 15.680 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V, 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0292100000-f6b73a86162426d6f53c
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
115 8 8
171 98 98
173 27 27
178 8 8
180 24 24
189 12 12
190 12 12
192 94 94
193 16 16
195 31 31
206 12 12
207 999 999
208 137 137
209 12 12
212 12 12
233 16 16
235 98 98
236 12 12
258 27 27
259 8 8
282 8 8
294 12 12
324 16 16
341 63 63
342 20 20
362 20 20
365 20 20
377 141 141
378 27 27
379 47 47
380 16 16
405 78 78
406 20 20
407 27 27
408 8 8
423 63 63
424 16 16
425 24 24
445 20 20
461 16 16
463 8 8
//