MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010480
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010480
RECORD_TITLE: ORTHO-DIMETHOXYBENZENE; 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$NAME: ORTHO-DIMETHOXYBENZENE
CH$NAME: 1,2-DIMETHOXYBENENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O2
CH$EXACT_MASS: 138.06808
CH$SMILES: COc(c1)c(OC)ccc1
CH$IUPAC: InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3
CH$LINK: INCHIKEY
ABDKAPXRBAPSQN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7047065
AC$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: splash10-0f96-9100000000-82821a5bc5bbc4df87be
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
26 7.49 75
27 7.22 72
29 9.95 100
30 1.55 16
31 2.71 27
37 4.4 44
38 12.54 125
39 36.48 365
40 2.95 30
41 28.24 282
49 2.36 24
50 28.01 280
51 56.78 568
52 50.5 505
53 11.67 117
54 2.76 28
55 3.52 35
61 3.16 32
62 9.23 92
63 28.75 288
64 12.17 122
65 57.16 572
66 4.96 50
67 10.04 100
73 1.05 11
74 5.26 53
75 3.57 36
76 4.01 40
77 68.19 682
78 12.37 124
79 30.8 308
80 12.77 128
81 1.35 14
89 6.43 64
90 4.1 41
91 97.2 972
92 99.99 999
93 10.36 104
95 55.9 559
96 3.78 38
105 8.87 89
106 1.28 13
107 11.93 119
108 1.47 15
121 2.42 24
123 18.99 190
124 1.69 17
138 47.19 472
139 4.62 46
//