ACCESSION: MSBNK-Waters-WA002219
RECORD_TITLE: Loratadine; LC-ESI-Q; MS; POS; 90 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 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0159-0090000000-516d9ccff356d369e791
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  117 16 16
  126 16 16
  130 20 20
  179 12 12
  180 51 51
  192 31 31
  193 67 67
  194 47 47
  195 12 12
  214 165 165
  215 20 20
  216 74 74
  217 35 35
  218 51 51
  219 31 31
  220 16 16
  226 12 12
  227 12 12
  228 121 121
  229 90 90
  230 110 110
  231 219 219
  232 141 141
  233 55 55
  238 16 16
  240 16 16
  242 27 27
  243 129 129
  244 192 192
  245 168 168
  246 161 161
  247 78 78
  248 31 31
  251 12 12
  252 192 192
  253 180 180
  254 98 98
  255 67 67
  256 39 39
  257 35 35
  258 407 407
  259 533 533
  260 102 102
  264 20 20
  265 16 16
  266 517 517
  267 999 999
  268 309 309
  269 329 329
  270 67 67
  277 12 12
  278 82 82
  279 235 235
  280 548 548
  281 388 388
  282 364 364
  283 149 149
  284 71 71
  285 16 16
  292 86 86
  293 16 16
  294 149 149
  295 27 27
  296 47 47
  302 27 27
  322 31 31
  337 90 90
  338 16 16
  339 47 47
  383 24 24
  405 16 16
//