MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003067
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003067
RECORD_TITLE: CHLORPHENIRAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: CHLORPHENIRAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H19ClN2
CH$EXACT_MASS: 274.12368
CH$SMILES: CN(C)CCC(c(c2)nccc2)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
CH$LINK: INCHIKEY
SOYKEARSMXGVTM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0022804
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0zfr-6290000000-2ca3230cde716588805e
PK$NUM_PEAK: 94
PK$PEAK: m/z int. rel.int.
39 1.1 11
40 0.3 3
41 2 20
42 0.59 6
43 2.9 29
44 2.9 29
45 0.9 9
47 0.17 2
48 1.1 11
49 0.3 3
50 0.1 1
51 0.17 2
52 1.7 17
53 0.8 8
54 0.1 1
56 0.29 3
57 2.9 29
58 52.9 529
59 2.9 29
60 0.01 0
62 0.1 1
63 1.2 12
70 1.9 19
71 0.21 2
72 25.9 259
73 1.4 14
75 1.3 13
76 0.03 0
77 1.4 14
78 1.9 19
79 1.4 14
80 0.05 1
81 0.7 7
82 0.1 1
83 5.3 53
84 0.09 1
85 3.9 39
86 0.1 1
87 1.1 11
88 0.01 0
89 1.2 12
90 0.5 5
91 0.6 6
93 0.11 1
94 0.2 2
115 1.4 14
116 0.9 9
117 0.14 1
118 0.9 9
124 0.4 4
125 1.9 19
126 0.01 0
127 1.1 11
128 0.2 2
138 1.4 14
139 0.24 2
140 1.4 14
141 0.9 9
165 1.4 14
166 0.34 3
167 12.5 125
168 7.5 75
169 1.9 19
178 0.04 0
179 0.1 1
180 2.4 24
181 1.9 19
182 0.04 0
183 0.1 1
191 0.4 4
192 0.9 9
193 0.04 0
194 0.4 4
201 4.9 49
202 10.9 109
203 99.99 999
204 16.4 164
205 33.9 339
206 5.9 59
207 0.27 3
208 0.9 9
214 1.9 19
215 0.4 4
216 0.44 4
217 0.4 4
218 1.9 19
226 0.1 1
227 0.12 1
228 1.1 11
229 1 10
230 2.3 23
232 0.12 1
233 0.1 1
274 0.4 4
//