MassBank Record: MSBNK-Waters-WA002202
ACCESSION: MSBNK-Waters-WA002202
RECORD_TITLE: Perimethazine (oxide); 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$NAME: Perimethazine (oxide)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H28N2O2S
CH$EXACT_MASS: 384.18715
CH$SMILES: COc(c4)cc(c(c4)1)N(CC(C)CN(C3)CCC(O)C3)c(c2)c(ccc2)S1
CH$IUPAC: InChI=1S/C22H28N2O2S/c1-16(14-23-11-9-17(25)10-12-23)15-24-19-5-3-4-6-21(19)27-22-8-7-18(26-2)13-20(22)24/h3-8,13,16-17,25H,9-12,14-15H2,1-2H3
CH$LINK: CAS
13093-88-4
CH$LINK: INCHIKEY
WYRWAVVTDKZRIJ-UHFFFAOYSA-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 14.490 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$SPLASH: splash10-0bt9-0911100000-c2db68dab1df536b219f
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
114 905 905
115 31 31
138 27 27
154 16 16
156 999 999
157 86 86
210 24 24
228 86 86
229 35 35
242 133 133
243 16 16
244 12 12
270 16 16
283 47 47
284 39 39
300 82 82
301 12 12
383 16 16
385 125 125
386 27 27
401 63 63
402 12 12
417 145 145
418 27 27
//