MassBank Record: MSBNK-Waters-WA002186
ACCESSION: MSBNK-Waters-WA002186
RECORD_TITLE: Promethazine (oxide); 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: 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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0002-0930000000-a07f8f5c8eb0d664f46a
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
105 20 20
154 110 110
162 27 27
166 20 20
167 12 12
171 35 35
179 12 12
180 129 129
181 16 16
186 31 31
194 16 16
197 16 16
198 999 999
199 141 141
200 55 55
206 31 31
207 20 20
208 16 16
212 74 74
213 16 16
214 12 12
223 20 20
224 51 51
225 43 43
226 20 20
238 35 35
239 121 121
240 43 43
241 12 12
256 12 12
//