MassBank Record: MSBNK-Waters-WA002188
ACCESSION: MSBNK-Waters-WA002188
RECORD_TITLE: Promethazine (oxide); LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Promethazine (oxide)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H20N2S
CH$EXACT_MASS: 284.13472
CH$SMILES: CN(C)C(C)CN(c21)c(c3)c(ccc3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
CH$LINK: CAS
60-87-7
CH$LINK: INCHIKEY
PWWVAXIEGOYWEE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7023518
AC$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$CHROMATOGRAPHY: RETENTION_TIME 14.220 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0002-0693000000-94c96b7e663e0a32cd59
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
198 999 999
199 106 106
200 47 47
212 212 212
213 47 47
214 27 27
226 27 27
239 114 114
240 302 302
241 39 39
242 16 16
256 462 462
257 67 67
258 24 24
285 74 74
286 16 16
301 239 239
302 39 39
303 16 16
317 188 188
318 31 31
319 12 12
//