MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006585
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006585
RECORD_TITLE: P-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$NAME: P-DIETHOXYBENZENE
CH$NAME: 1,4-DIETHOXYBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O2
CH$EXACT_MASS: 166.09938
CH$SMILES: CCOc(c1)ccc(OCC)c1
CH$IUPAC: InChI=1S/C10H14O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8H,3-4H2,1-2H3
CH$LINK: INCHIKEY
VWGNFIQXBYRDCH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9059549
AC$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: splash10-08fr-5900000000-c0e705e3f28077e18002
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
26 3.73 37
27 22.74 227
28 1.67 17
29 24.57 246
38 1.86 19
39 7.04 70
43 1.19 12
50 1.97 20
51 2.71 27
52 2.97 30
53 8.83 88
54 5.14 51
55 3.42 34
62 1.58 16
63 4.84 48
64 5.1 51
65 6.71 67
66 1.49 15
77 1.68 17
81 24.08 241
82 4.59 46
92 1.09 11
109 59.41 594
110 99.99 999
111 5.37 54
137 6.78 68
138 9.56 96
139 1.16 12
166 47.86 479
167 4.41 44
//
system version 2.2.8-SNAPSHOT