MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005762
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005762
RECORD_TITLE: CHLORPROMAZINE; 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$NAME: CHLORPROMAZINE
CH$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: CAS
50-53-3
CH$LINK: INCHIKEY
ZPEIMTDSQAKGNT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0022808
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$SPLASH: splash10-0a4r-9053000000-9e1cc1d4fc6be5bc73b8
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
56 1.68 17
57 2.56 26
58 99.99 999
59 0.64 6
63 1.41 14
69 2.11 21
70 4.28 43
71 2.73 27
72 4.34 43
75 1 10
77 1.28 13
84 4.68 47
85 17.68 177
86 41.51 415
87 2.63 26
139 0.12 1
152 1.63 16
153 1.54 15
164 1.11 11
188 1.39 14
196 2.95 30
197 3.08 31
198 3.17 32
200 1.26 13
201 1.39 14
210 1.05 11
211 1.37 14
212 1.33 13
213 1.27 13
214 5.23 52
215 1.01 10
216 1.77 18
223 2.43 24
224 1.08 11
225 1.06 11
232 8.26 83
233 11.64 116
234 4.87 49
235 4.32 43
236 1.01 10
238 1.26 13
244 1.09 11
246 4.33 43
247 4.01 40
248 2.11 21
249 1.43 14
258 2.12 21
259 3.91 39
260 2.06 21
261 1.51 15
272 15.1 151
273 8.35 84
274 7.04 70
275 3.14 31
318 38.93 389
319 7.98 80
320 14.07 141
321 2.95 30
//