MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006588
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006588
RECORD_TITLE: DIBENZYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: DIBENZYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H14O
CH$EXACT_MASS: 198.10447
CH$SMILES: c(c2)ccc(c2)COCc(c1)cccc1
CH$IUPAC: InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
CH$LINK: INCHIKEY
MHDVGSVTJDSBDK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5025819
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$SPLASH: splash10-0006-9000000000-4b998879e7110e3fac50
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
27 1.28 13
39 7.95 80
41 1.84 18
50 2.35 24
51 9 90
52 2.27 23
63 3.35 34
64 1.1 11
65 17.37 174
66 1.03 10
77 16.02 160
78 2.57 26
79 18.08 181
80 1.09 11
89 2.83 28
90 1.95 20
91 78.53 785
92 99.99 999
93 6.68 67
105 2.72 27
107 13.53 135
//
system version 2.2.6-SNAPSHOT