MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006584
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006584
RECORD_TITLE: O-DIETHOXYBENZENE; 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$NAME: O-DIETHOXYBENZENE
CH$NAME: 1,2-DIETHOXYBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O2
CH$EXACT_MASS: 166.09938
CH$SMILES: CCOc(c1)c(OCC)ccc1
CH$IUPAC: InChI=1S/C10H14O2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h5-8H,3-4H2,1-2H3
CH$LINK: INCHIKEY
QZYDOKBVZJLQCK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6038798
AC$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: splash10-03di-4900000000-5e654f9a6e2183b4c6d9
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
26 1.89 19
27 11.94 119
29 9.08 91
39 3.06 31
43 1.86 19
45 1.16 12
50 1.89 19
51 4.21 42
52 6.31 63
53 5.27 53
55 1.33 13
63 3.37 34
64 4.06 41
65 5.68 57
77 1.74 17
79 1.1 11
80 1.5 15
81 20.27 203
82 2.21 22
91 1.25 13
92 2.25 23
93 1.7 17
95 1.15 12
109 26.07 261
110 99.99 999
111 5.95 60
121 2.7 27
137 1.02 10
138 8.21 82
166 39.23 392
167 3.62 36
//