MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011775
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011775
RECORD_TITLE: 1,2-DIFLUOROBENZENE; 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$NAME: 1,2-DIFLUOROBENZENE
CH$NAME: ORTHO-DIFLUOROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H4F2
CH$EXACT_MASS: 114.02811
CH$SMILES: Fc(c1)c(F)ccc1
CH$IUPAC: InChI=1S/C6H4F2/c7-5-3-1-2-4-6(5)8/h1-4H
CH$LINK: INCHIKEY
GOYDNIKZWGIXJT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2075390
AC$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: splash10-03di-9200000000-a10128a6a1fbba03d510
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
26 7.71 77
27 1.96 20
31 38.7 387
33 2.57 26
36 5.85 59
37 23.96 240
38 18.28 183
39 10.22 102
44 4.19 42
45 2.14 21
48 2.69 27
49 9.64 96
50 29.33 293
51 10.88 109
55 2.21 22
56 12.72 127
57 20.97 210
60 3.52 35
61 15.26 153
62 15.5 155
63 49.15 492
64 7.05 71
68 16.94 169
69 9.63 96
70 6.34 63
73 5.49 55
74 15.26 153
75 18.91 189
76 1.38 14
79 1.07 11
80 2.1 21
81 11.73 117
82 1.66 17
83 5.1 51
87 2.42 24
88 26.09 261
92 3.83 38
93 4.88 49
94 14.72 147
95 8.53 85
99 1.24 12
113 3.43 34
114 99.99 999
115 5.06 51
//