MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005788
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005788
RECORD_TITLE: CHLORPROMAZINE; 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$NAME: CHLORPROMAZINE
CH$NAME: 2-CHLORO-N,N-DIMETHYL-10H-PHENOTHIAZINE-10-PROPANAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H19ClN2S
CH$EXACT_MASS: 318.09575
CH$SMILES: CN(C)CCCN(c21)c(c3)c(ccc(Cl)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
CH$LINK: INCHIKEY
ZPEIMTDSQAKGNT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0022808
AC$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: splash10-000i-9070000000-9bbe6c5123c891b9489b
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
35 99.99 999
37 36.77 368
71 1.13 11
73 1.58 16
232 2.57 26
233 11.61 116
234 7.11 71
235 5.19 52
236 2.19 22
237 1.22 12
245 3.98 40
246 1.42 14
247 8.25 83
248 2.81 28
249 3.76 38
261 2.54 25
263 1 10
268 21.23 212
269 3.61 36
270 15.09 151
271 3.24 32
272 3.26 33
273 5.67 57
274 1.67 17
275 2.81 28
281 1.25 13
285 1.03 10
317 1.83 18
319 2.97 30
320 1.24 12
321 1.38 14
332 1.01 10
//