MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005776
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005776
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: splash10-014i-2019000000-54e008f9fc11d7f45b68
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
52 1.03 10
57 1.58 16
58 44.39 444
60 2.25 23
71 2.06 21
72 3.69 37
74 1.23 12
84 1.84 18
85 2.66 27
86 31.41 314
87 2.01 20
111 1.03 10
149 1.53 15
198 1.75 18
199 1.57 16
200 1.51 15
226 1.9 19
233 3.23 32
234 3.64 36
235 1.87 19
236 1.66 17
240 1.01 10
246 1.52 15
248 2.77 28
250 1 10
262 1.17 12
274 1.31 13
276 1.25 13
283 6.41 64
284 6.01 60
285 7.05 71
286 1.79 18
317 10.8 108
318 67.76 678
319 99.99 999
320 45.13 451
321 39.32 393
322 8.72 87
323 2.64 26
347 9.89 99
348 2.27 23
349 3.66 37
//