MassBank Record: MSBNK-Waters-WA002248
ACCESSION: MSBNK-Waters-WA002248
RECORD_TITLE: Haloperidol; 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$NAME: Haloperidol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H23ClFNO2
CH$EXACT_MASS: 375.14013
CH$SMILES: Fc(c3)ccc(c3)C(=O)CCCN(C2)CCC(O)(C2)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
CH$LINK: CAS
52-86-8
CH$LINK: INCHIKEY
LNEPOXFFQSENCJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4034150
AC$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$CHROMATOGRAPHY: RETENTION_TIME 14.800 min
AC$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: splash10-001i-0901000000-2ba235edb7890f50e11a
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
139 435 435
140 16 16
141 141 141
142 8 8
179 8 8
181 999 999
182 86 86
183 345 345
184 24 24
194 20 20
196 12 12
198 20 20
199 12 12
210 16 16
212 20 20
222 27 27
224 12 12
253 8 8
374 63 63
375 8 8
376 43 43
377 8 8
378 8 8
392 67 67
393 12 12
394 47 47
395 8 8
396 8 8
//