MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003408
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003408
RECORD_TITLE: PENTACHLORONITROBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: PENTACHLORONITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6Cl5NO2
CH$EXACT_MASS: 292.83717
CH$SMILES: [O-1][N+1](=O)c(c(Cl)1)c(Cl)c(Cl)c(Cl)c(Cl)1
CH$IUPAC: InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9
CH$LINK: INCHIKEY
LKPLKUMXSAEKID-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2021105
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-01p5-1290000000-63fb4e63405e04ae7409
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
46 11.5 115
47 17.5 175
60 12 120
71 26.5 265
72 14.1 141
95 14.9 149
106 13.6 136
107 4.85 49
108 12.3 123
109 14.9 149
118 23.3 233
120 1.52 15
141 12.5 125
142 81.1 811
143 17.5 175
144 5.22 52
165 12 120
167 11.2 112
177 40.4 404
179 3.83 38
181 12.8 128
212 61.4 614
214 77.6 776
216 3.8 38
230 12.8 128
235 63.2 632
237 99.99 999
239 6.22 62
241 19.9 199
247 52.2 522
249 83.9 839
251 5.35 54
253 16.5 165
263 32.5 325
265 49.3 493
267 3.2 32
269 10.2 102
282 23.6 236
284 43.5 435
286 3.49 35
288 14.9 149
293 56.1 561
295 86.6 866
297 5.64 56
299 18.3 183
//
system version 2.2.8-SNAPSHOT