MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001507
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001507
RECORD_TITLE: DIPHENYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: DIPHENYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H10O
CH$EXACT_MASS: 170.07316
CH$SMILES: c(c2)ccc(c2)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
CH$LINK: INCHIKEY
USIUVYZYUHIAEV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9021847
AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00dl-6900000000-1b320b4ab1b86a9f7013
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
27 3.75 38
28 2.17 22
38 3.62 36
39 15.52 155
40 1.68 17
50 9.03 90
51 37.16 372
52 2.21 22
55 1.72 17
57.5 1.64 16
58 1.2 12
62 1.6 16
63 5.22 52
64 2.34 23
65 6.97 70
66 1.14 11
70 3.82 38
70.5 1.44 14
71 5.07 51
74 2.37 24
75 1.92 19
76 2.3 23
77 37.16 372
78 2.74 27
84 1.1 11
85 3.15 32
89 1.07 11
94 4.86 49
115 11.24 112
116 2.02 20
139 2.26 23
140 1.46 15
141 36.62 366
142 26.84 268
143 3.18 32
168 2.2 22
169 15.83 158
170 99.99 999
171 13.76 138
172 1.26 13
//