MassBank Record: WA001869



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

ACCESSION: WA001869
RECORD_TITLE: Zuclopenthixol; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Zuclopenthixol CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H25ClN2OS CH$EXACT_MASS: 400.13761 CH$SMILES: OCCN(C4)CCN(C4)CCC=C(c21)c(c3)c(ccc(Cl)3)Sc(cccc2)1 CH$IUPAC: InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5- CH$LINK: CAS 53772-83-1 CH$LINK: INCHIKEY WFPIAZLQTJBIFN-DVZOWYKESA-N CH$LINK: COMPTOX DTXSID3048233
AC$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$CHROMATOGRAPHY: RETENTION_TIME 15.350 min AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0080-0290000000-9811fdb13c3a188ef059 PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 110 35 35 111 215 215 112 59 59 113 43 43 123 39 39 124 67 67 125 55 55 127 47 47 129 102 102 137 27 27 139 784 784 140 98 98 141 55 55 152 31 31 169 82 82 203 71 71 210 55 55 221 423 423 222 71 71 231 999 999 232 86 86 233 388 388 234 114 114 235 494 494 236 592 592 237 106 106 238 286 286 239 35 35 240 74 74 245 63 63 247 27 27 256 78 78 258 27 27 271 670 670 272 82 82 273 513 513 274 63 63 275 114 114 328 35 35 356 251 251 357 47 47 358 98 98 401 294 294 402 47 47 403 118 118 //

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