MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004269
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004269
RECORD_TITLE: 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$NAME: NITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H5NO2
CH$EXACT_MASS: 123.03203
CH$SMILES: [O-1][N+1](=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
CH$LINK: INCHIKEY
LQNUZADURLCDLV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3020964
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$SPLASH: splash10-0fi0-9200000000-01d576e409b4cc0d4a11
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
27 2.11 21
30 5.87 59
37 1.59 16
38 2.11 21
39 4.23 42
49 1.06 11
50 12.32 123
51 41.65 417
52 2.11 21
63 1.48 15
64 1.06 11
65 12.16 122
66 1.11 11
73 1.06 11
74 4.6 46
75 2.91 29
76 2.59 26
77 99.99 999
78 6.77 68
93 12.84 128
94 1 10
107 4.7 47
123 63.37 634
124 4.76 48
//