MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010329
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010329
RECORD_TITLE: DIPHENYLAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: DIPHENYLAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H11N
CH$EXACT_MASS: 169.08915
CH$SMILES: c(c2)ccc(c2)Nc(c1)cccc1
CH$IUPAC: InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H
CH$LINK: INCHIKEY
DMBHHRLKUKUOEG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4021975
AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-014i-8900000000-43ff93288efd91fa24fd
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
15 3.58 36
26 1.81 18
27 10.19 102
28 6.71 67
37 1.02 10
38 4.51 45
39 60.97 610
40 3.47 35
41 1.9 19
50 8.65 87
51 25 250
52 8.95 90
53 1.42 14
54 1.73 17
62 1.74 17
63 21.54 215
64 5.2 52
65 19.44 194
66 9.02 90
74 1.35 14
75 1.55 16
76 2.22 22
77 18.85 189
78 3.22 32
89 6.03 60
90 2.3 23
91 3.65 37
92 4.53 45
93 2.09 21
103 1.28 13
104 1.84 18
113 1.56 16
114 1.08 11
115 7.14 71
116 1.5 15
117 2.3 23
127 2.21 22
128 4.06 41
129 2.07 21
130 4.66 47
138 1.59 16
139 6.83 68
140 2 20
141 5.11 51
142 2.09 21
143 1.48 15
154 2.66 27
166 5.81 58
167 32.83 328
168 43.26 433
169 99.99 999
170 13.52 135
//
system version 2.2.6-SNAPSHOT