MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011267
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011267
RECORD_TITLE: TRIFLUOROMETHOXYBENZENE; 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$NAME: TRIFLUOROMETHOXYBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H5F3O
CH$EXACT_MASS: 162.02925
CH$SMILES: FC(F)(F)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C7H5F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
CH$LINK: INCHIKEY
GQHWSLKNULCZGI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4060028
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$SPLASH: splash10-02ti-9200000000-28162e10b5f8871ad200
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
26 3.43 34
27 2.9 29
31 2.19 22
37 6.98 70
38 17.04 170
39 54.82 548
40 2.24 22
43 1.07 11
47 1.7 17
49 2.56 26
50 16.76 168
51 15.1 151
52 1.04 10
53 2.38 24
61 3.71 37
62 6.93 69
63 16.18 162
64 8.19 82
65 99.99 999
66 6.43 64
67 1.21 12
69 34.85 349
70 2.33 23
73 1.34 13
74 4.76 48
75 4.29 43
76 3.28 33
77 24.15 242
78 1.57 16
84 1.85 19
92 1.89 19
93 16.29 163
94 1.44 14
95 2.75 28
96 17.29 173
97 1.19 12
114 1.98 20
162 84.23 842
163 6.72 67
//