MassBank Record: MSBNK-Waters-WA002221
ACCESSION: MSBNK-Waters-WA002221
RECORD_TITLE: Loratadine; 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$NAME: Loratadine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H23ClN2O2
CH$EXACT_MASS: 382.14481
CH$SMILES: CCOC(=O)N(C4)CCC(C4)=C(c21)c(c3)c(cc(Cl)c3)CCc(cccn2)1
CH$IUPAC: InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
CH$LINK: CAS
79794-75-5
CH$LINK: INCHIKEY
JCCNYMKQOSZNPW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2023224
AC$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$CHROMATOGRAPHY: RETENTION_TIME 17.350 min
AC$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: splash10-000i-0059000000-757cdc3abd4d14039c35
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
154 12 12
195 12 12
228 27 27
229 20 20
230 55 55
231 12 12
232 16 16
244 12 12
246 12 12
248 12 12
258 31 31
259 215 215
260 43 43
266 12 12
267 243 243
268 43 43
269 82 82
270 24 24
279 24 24
280 35 35
281 110 110
282 137 137
283 63 63
284 43 43
292 24 24
294 168 168
295 27 27
296 59 59
302 27 27
311 12 12
322 24 24
337 999 999
338 184 184
339 407 407
340 71 71
341 20 20
355 16 16
383 443 443
384 78 78
385 165 165
386 27 27
405 16 16
//