MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010479
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010479
RECORD_TITLE: DIBENZYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
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$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0f96-9000000000-7849b51aa36a013236eb
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
26 6.34 63
27 11.06 111
29 17.8 178
30 4.37 44
31 7.85 79
39 38.17 382
40 8.79 88
41 7.98 80
43 1.63 16
46 1.18 12
49 3.25 33
50 34.78 348
51 63.65 637
52 17.11 171
53 5.1 51
63 22.46 225
64 6.41 64
65 46.7 467
66 3.81 38
75 8.29 83
77 71.62 716
78 19.66 197
79 34.65 347
89 10.12 101
91 99.99 999
92 56.81 568
93 5.45 55
105 22.61 226
107 12.32 123
//
system version 2.2.6-SNAPSHOT