MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004836
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004836
RECORD_TITLE: DIPHENYLMETHANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$LINK: CAS
101-81-5
CH$LINK: INCHIKEY
CZZYITDELCSZES-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1041891
AC$INSTRUMENT: JE0L
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-2900000000-ca78efaa0ce4f7ff0bb8
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
50 1.99 20
51 5.12 51
62 1.32 13
63 4.16 42
64 1.29 13
65 7.47 75
70 1.86 19
71 1.77 18
75 1.08 11
76 2.29 23
77 1.75 18
82 6.01 60
83 10.28 103
84 2.61 26
89 5.94 59
90 3.44 34
91 19.06 191
92 1.53 15
115 3.76 38
128 2.79 28
139 2.58 26
141 2.29 23
151 1.63 16
152 16.11 161
153 14.28 143
154 1.59 16
163 1.99 20
164 2.74 27
165 28.33 283
166 10.33 103
167 86.04 860
168 99.99 999
169 13.3 133
170 1.11 11
//