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
//