MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005778
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005778
RECORD_TITLE: TRIMEPRAZINE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: TRIMEPRAZINE
CH$NAME: 10-(3-(DIMETHYLAMINO)-2-METHYLPROPYL)PHENOTHIAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H22N2S
CH$EXACT_MASS: 298.15037
CH$SMILES: CN(C)CC(C)CN(c21)c(c3)c(ccc3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3
CH$LINK: CAS
84-96-8
CH$LINK: INCHIKEY
ZZHLYYDVIOPZBE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9023708
AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE
PK$SPLASH: splash10-0002-1192000000-93fd466d9dd2ccc3c679
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
58 28.92 289
72 1.84 18
74 1.3 13
84 1.43 14
86 1.92 19
98 1.08 11
99 1.08 11
100 23.07 231
101 2.16 22
199 3.61 36
200 5.88 59
212 3.49 35
213 1.05 11
214 4.43 44
239 1.83 18
240 2.98 30
242 1.59 16
253 1.72 17
254 2.34 23
268 1.77 18
269 3.67 37
297 10.96 110
298 59.15 592
299 99.99 999
300 23.65 237
301 8.29 83
327 10.59 106
328 2.66 27
329 1.14 11
//
system version 2.2.8-SNAPSHOT