MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000222
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000222
RECORD_TITLE: META FLUORO NITROBENZENE; 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$NAME: META FLUORO NITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H4FNO2
CH$EXACT_MASS: 141.02261
CH$SMILES: Fc(c1)cc(cc1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C6H4FNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
CH$LINK: INCHIKEY
WMASLRCNNKMRFP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20193201
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$SPLASH: splash10-002b-9100000000-d9b7fb3ab398b3eac454
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
27 1.35 14
30 26.33 263
31 2.85 29
37 3.7 37
38 3.91 39
39 4.27 43
49 2.14 21
50 16.94 169
51 8.9 89
57 9.25 93
61 2.7 27
62 3.2 32
63 3.84 38
68 7.62 76
69 12.38 124
73 1.64 16
74 11.6 116
75 77.79 778
76 5.84 58
81 1.57 16
82 1.42 14
83 19.29 193
92 1.42 14
93 2.14 21
94 5.91 59
95 99.99 999
96 6.41 64
111 10.11 101
141 47.19 472
142 3.49 35
//