MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000224
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000224
RECORD_TITLE: PARA 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$NAME: PARA FLUORO NITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H4FNO2
CH$EXACT_MASS: 141.02261
CH$SMILES: Fc(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C6H4FNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
CH$LINK: INCHIKEY
WFQDTOYDVUWQMS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9022025
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$SPLASH: splash10-002e-9300000000-72d7e78945ba3bdc4392
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
27 1.81 18
30 12.32 123
31 2.71 27
37 2.55 26
38 2.55 26
39 3.12 31
41 1.97 20
43 2.38 24
50 15.02 150
51 8.21 82
57 9.69 97
61 2.55 26
62 2.46 25
63 3.04 30
68 6.08 61
69 11.25 113
73 1.89 19
74 9.85 99
75 69.29 693
76 5.75 58
83 20.36 204
93 2.3 23
94 5.91 59
95 99.99 999
96 6.73 67
111 27.01 270
125 3.78 38
141 77.59 776
142 7.14 71
//
system version 2.2.6-SNAPSHOT