MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005764
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005764
RECORD_TITLE: TRIMEPRAZINE; EI-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: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9240000000-3d6ddecfeef1ce4ea2a2
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
57 1.43 14
58 99.99 999
59 4.27 43
71 1.12 11
84 3.24 32
86 1.82 18
99 2.79 28
100 0.79 8
152 1.17 12
154 1.81 18
166 1.23 12
167 1.97 20
179 1.3 13
180 5.65 57
197 1.14 11
198 6.97 70
199 5.63 56
200 1.16 12
212 5.9 59
213 2.02 20
223 1.47 15
224 1.26 13
238 4.41 44
239 5.54 55
240 2.13 21
252 4.4 44
253 3.61 36
298 18.43 184
299 3.83 38
300 1.28 13
//
system version 2.2.8-SNAPSHOT