MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003519
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003519
RECORD_TITLE: DIPHENYLETHER; 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$NAME: DIPHENYLETHER
CH$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$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-00di-5900000000-fa40da8e096ee71b2081
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
39 16 160
40 2 20
50 10 100
51 39 390
52 2.5 25
55 2.5 25
58 1 10
62 0.2 2
63 5.5 55
64 2 20
65 8 80
66 0.3 3
68 2 20
69 1 10
69.5 1 10
70 0.35 4
70.5 1.5 15
71 4 40
71.5 1 10
72 0.15 2
74 2.5 25
75 2.5 25
76 3 30
77 4.8 48
78 4 40
84 1.5 15
85 2.5 25
89 0.1 1
94 5 50
102 1 10
114 1 10
115 1.8 18
116 2.5 25
139 3.5 35
140 1.5 15
141 4.8 48
142 40 400
143 5 50
153 1 10
155 0.1 1
168 2 20
169 23 230
170 99.99 999
171 1.5 15
172 2 20
//
system version 2.2.6-SNAPSHOT