MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011266
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011266
RECORD_TITLE: ORTHO-IODONITROBENZENE; 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$NAME: ORTHO-IODONITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H4INO2
CH$EXACT_MASS: 248.92867
CH$SMILES: [O-1][N+1](=O)c(c1)c(I)ccc1
CH$IUPAC: InChI=1S/C6H4INO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
CH$LINK: INCHIKEY
JXMZUNPWVXQADG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9060574
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$SPLASH: splash10-000t-3090000000-cc1b490beeae79da5a41
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
30 4.1 41
39 2.84 28
50 3.23 32
63 6.24 62
64 1.71 17
74 1.22 12
75 1.93 19
76 10.22 102
77 1.41 14
92 35.82 358
93 2.55 26
94 1.3 13
122 2.4 24
152 1.51 15
191 3.76 38
203 2.69 27
204 2.38 24
219 11.68 117
220 2.35 24
233 54.14 541
234 4.47 45
249 99.99 999
250 13.48 135
251 1.08 11
//