MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002917
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002917
RECORD_TITLE: NITROBENZEN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: NITROBENZEN
CH$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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0fi0-9200000000-940028739887fc7d3811
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
27 4.18 42
30 11.06 111
37 2.79 28
38 3.93 39
39 7.73 77
50 19.03 190
51 55.13 551
52 2.87 29
65 12.31 123
74 6.52 65
75 4.04 40
76 3.1 31
77 99.99 999
78 7.76 78
93 12.44 124
123 54.26 543
124 4.28 43
//