MassBank Record: MSBNK-Waters-WA002179
ACCESSION: MSBNK-Waters-WA002179
RECORD_TITLE: Propericiazine (oxide); LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Propericiazine (oxide)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H23N3OS
CH$EXACT_MASS: 365.15618
CH$SMILES: N#Cc(c4)cc(c(c4)1)N(CCCN(C3)CCC(O)C3)c(c2)c(ccc2)S1
CH$IUPAC: InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2
CH$LINK: CAS
2622-26-6
CH$LINK: INCHIKEY
LUALIOATIOESLM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5045910
AC$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$CHROMATOGRAPHY: RETENTION_TIME 14.070 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-08fr-0980000000-28edce2e3387a4d71a88
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
100 27 27
114 999 999
115 47 47
124 63 63
142 176 176
143 12 12
192 12 12
204 51 51
205 607 607
206 67 67
210 12 12
223 125 125
224 39 39
231 20 20
232 16 16
237 259 259
238 35 35
239 12 12
250 12 12
265 12 12
366 43 43
//