MassBank Record: MSBNK-Waters-WA001578
ACCESSION: MSBNK-Waters-WA001578
RECORD_TITLE: Chlorprothixene; 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$NAME: Chlorprothixene
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H18ClNS
CH$EXACT_MASS: 315.08485
CH$SMILES: CN(C)CCC=C(c21)c(c3)c(ccc(Cl)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-
CH$LINK: CAS
113-59-7
CH$LINK: INCHIKEY
WSPOMRSOLSGNFJ-AUWJEWJLSA-N
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 15.260 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$SPLASH: splash10-0080-0090000000-37905fa587fa44a94b62
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
100 12 12
103 8 8
115 8 8
128 59 59
129 8 8
130 12 12
142 20 20
159 20 20
162 24 24
164 8 8
186 12 12
193 16 16
195 12 12
202 27 27
203 94 94
204 16 16
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214 8 8
221 482 482
222 82 82
223 27 27
231 999 999
232 114 114
233 392 392
234 145 145
235 545 545
236 650 650
237 118 118
238 325 325
239 43 43
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246 24 24
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248 8 8
255 8 8
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259 8 8
269 16 16
271 595 595
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273 345 345
274 51 51
275 47 47
276 8 8
316 208 208
317 35 35
318 78 78
319 12 12
//
system version 2.2.6-SNAPSHOT