MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005784
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005784
RECORD_TITLE: PROMETHAZINE; 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$NAME: PROMETHAZINE
CH$NAME: 10-(2-DIMETHYLAMINOPROPYL)PHENOTHIAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H20N2S
CH$EXACT_MASS: 284.13472
CH$SMILES: CN(C)C(C)CN(c21)c(c3)c(ccc3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
CH$LINK: CAS
60-87-7
CH$LINK: INCHIKEY
PWWVAXIEGOYWEE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7023518
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$SPLASH: splash10-0079-8290000000-fe5d6b4e9f62b7270798
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
52 2.85 29
56 2.85 29
58 4.84 48
60 1.81 18
61 2.33 23
63 2.33 23
70 5.8 58
71 11.68 117
72 99.99 999
73 5.88 59
74 4.76 48
79 4.24 42
81 2.16 22
86 80.95 810
87 3.03 30
88 1.99 20
91 1.64 16
93 2.16 22
99 7.79 78
100 14.11 141
107 1.21 12
111 1.73 17
112 3.03 30
113 1.47 15
114 1.9 19
136 1.64 16
137 2.59 26
150 1.55 16
153 1.47 15
170 1.03 10
183 1.47 15
184 1.81 18
198 6.66 67
199 20.17 202
200 31.25 313
201 6.06 61
202 3.11 31
210 1.9 19
212 2.59 26
213 21.64 216
214 35.84 358
215 6.32 63
216 2.77 28
226 1.73 17
227 1.73 17
228 4.5 45
229 1.55 16
230 1.73 17
239 2.94 29
240 11.42 114
241 3.98 40
242 9.35 94
243 1.99 20
244 2.16 22
254 1.73 17
255 2.16 22
256 1.55 16
270 2.25 23
283 10.21 102
284 26.83 268
285 48.48 485
286 9.78 98
287 2.94 29
313 5.19 52
//