MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003078
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003078
RECORD_TITLE: DIPHENHYDRAMINE; 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$NAME: DIPHENHYDRAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H21NO
CH$EXACT_MASS: 255.16231
CH$SMILES: CN(C)CCOC(c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
CH$LINK: INCHIKEY
ZZVUWRFHKOJYTH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4022949
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: splash10-0a4i-9100000000-7b9eb1f702c76f6b6062
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
41 0.9 9
42 4.4 44
43 2.9 29
44 0.49 5
45 7.4 74
46 0.4 4
50 0.4 4
51 0.14 1
52 0.4 4
55 0.4 4
56 2.4 24
57 0.29 3
58 99.99 999
59 4.4 44
60 0.4 4
70 0.04 0
71 1.4 14
72 1.4 14
73 24.9 249
74 0.19 2
75 0.4 4
76 0.6 6
77 1.9 19
78 0.09 1
88 0.4 4
89 0.4 4
90 0.4 4
91 0.14 1
92 0.4 4
104 0.4 4
105 1.9 19
106 0.04 0
151 0.4 4
152 3.9 39
153 1.4 14
154 0.04 0
163 0.6 6
164 0.9 9
165 8.9 89
166 3.9 39
167 0.99 10
168 4.9 49
169 0.9 9
170 0.4 4
182 0.04 0
183 0.6 6
184 0.4 4
227 0.9 9
228 0.04 0
255 0.1 1
//