MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006799
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006799
RECORD_TITLE: BENZOYL FLUORIDE; 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$NAME: BENZOYL FLUORIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H5FO
CH$EXACT_MASS: 124.03244
CH$SMILES: O=C(F)c(c1)cccc1
CH$IUPAC: InChI=1S/C7H5FO/c8-7(9)6-4-2-1-3-5-6/h1-5H
CH$LINK: INCHIKEY
HPMLGNIUXVXALD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5060019
AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0kka-9400000000-39a9038071ab6fa6ec7a
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
27 3.64 36
37 5.16 52
38 6.87 69
39 8.72 87
47 1.98 20
49 4.36 44
50 36.02 360
51 47.06 471
52 5.49 55
57 2.64 26
61 1.59 16
62 2.12 21
63 3.3 33
69 2.84 28
70 13.68 137
73 2.84 28
74 13.22 132
75 13.75 138
76 14.41 144
77 62.79 628
78 16.39 164
95 7.73 77
96 99.99 999
97 6.21 62
104 1.32 13
105 64.44 644
106 4.63 46
122 8.33 83
123 13.81 138
124 83.61 836
125 7.27 73
//