MassBank Record: WA002140



 8-Hydroxyloxapine; LC-ESI-Q; MS; POS; 75 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002140
RECORD_TITLE: 8-Hydroxyloxapine; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: 8-Hydroxyloxapine CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H18ClN3O2 CH$EXACT_MASS: 343.10875 CH$SMILES: CN(C4)CCN(C4)C(=N1)c(c3)c(ccc(Cl)3)Oc(c2)c(cc(O)c2)1 CH$IUPAC: InChI=1S/C18H18ClN3O2/c1-21-6-8-22(9-7-21)18-14-10-12(19)2-4-16(14)24-17-5-3-13(23)11-15(17)20-18/h2-5,10-11,23H,6-9H2,1H3 CH$LINK: CAS 61443-77-4
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 12.800 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-000i-0091000000-5655a11fd143bb6fcb91 PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 120 12 12 124 12 12 135 74 74 205 12 12 209 192 192 210 24 24 216 16 16 217 12 12 218 20 20 219 12 12 223 16 16 224 12 12 231 27 27 242 16 16 243 12 12 244 90 90 245 20 20 246 59 59 251 20 20 252 12 12 257 16 16 258 12 12 259 94 94 260 27 27 261 35 35 269 12 12 270 12 12 285 51 51 287 999 999 288 141 141 289 349 349 290 43 43 313 200 200 314 27 27 315 63 63 316 12 12 344 47 47 346 12 12 //