MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007206
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007206
RECORD_TITLE: DIPHENYLMETHANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: DIPHENYLMETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H12
CH$EXACT_MASS: 168.09390
CH$SMILES: c(c2)ccc(c2)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2
CH$LINK: INCHIKEY
CZZYITDELCSZES-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1041891
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-014i-5900000000-a4ca1b59bfa09f1bbc67
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
27 4 40
38 1.85 19
39 15.91 159
40 1.18 12
41 1.89 19
50 7.47 75
51 18.66 187
52 2.54 25
62 3.09 31
63 12.12 121
64 2.5 25
65 18.21 182
66 1.27 13
70 1.59 16
71 1.39 14
74 2.6 26
75 2.73 27
76 3.69 37
77 6.56 66
78 1.57 16
82 5.41 54
83 8.37 84
84 2.01 20
86 1.06 11
87 1.83 18
89 10.91 109
90 5.36 54
91 31.63 316
92 2.01 20
102 1.78 18
115 9.44 94
127 1.29 13
128 4.29 43
139 5.01 50
141 3.93 39
151 1.95 20
152 18.13 181
153 15.18 152
154 1.47 15
163 2.3 23
164 2.95 30
165 30.51 305
166 11.06 111
167 89.62 896
168 99.99 999
169 13.15 132
//
system version 2.2.6-SNAPSHOT