MassBank Record: MSBNK-Waters-WA002222
ACCESSION: MSBNK-Waters-WA002222
RECORD_TITLE: Loratadine; LC-ESI-Q; MS; POS; 45 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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-001r-0009000000-b43eaab94a3b90017bfa
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
230 27 27
259 12 12
282 20 20
294 20 20
337 282 282
338 47 47
339 102 102
340 20 20
383 999 999
384 172 172
385 360 360
386 71 71
405 16 16
//