MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010458
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010458
RECORD_TITLE: META-FLUOROANISOLE; 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$NAME: META-FLUOROANISOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7FO
CH$EXACT_MASS: 126.04809
CH$SMILES: COc(c1)cc(F)cc1
CH$IUPAC: InChI=1S/C7H7FO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
CH$LINK: INCHIKEY
MFJNOXOAIFNSBX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90196567
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$SPLASH: splash10-004j-9600000000-19f6ca9742420c9f94a3
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
15 3.72 37
26 1.41 14
29 2.81 28
31 1.91 19
37 1.27 13
38 2.07 21
39 3.06 31
50 3.54 35
51 2.1 21
56 1.06 11
57 11.32 113
61 1.16 12
62 1.67 17
63 4.15 42
64 1.22 12
68 1.1 11
69 1.66 17
70 2.33 23
74 1.76 18
75 5.93 59
77 1.8 18
81 2.54 25
82 1.86 19
83 33.28 333
84 2.69 27
95 7.35 74
96 42.35 424
97 11.9 119
98 1.28 13
111 3.32 33
112 3.3 33
125 1.89 19
126 99.99 999
127 8.9 89
//