ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002648
RECORD_TITLE: 4-CHLORO-3-NITROBENZOIC ACID METHYL ESTER; 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$NAME: 4-CHLORO-3-NITROBENZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H6ClNO4
CH$EXACT_MASS: 214.99854
CH$SMILES: COC(=O)c(c1)cc([N+1]([O-1])=O)c(Cl)c1
CH$IUPAC: InChI=1S/C8H6ClNO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,1H3
CH$LINK: INCHIKEY XRTKWPWDSUNLHS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40352833
AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-001r-1910000000-178cf9d622bc5046e1a5
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  44 4.6 46
  50 4.6 46
  51 5.2 52
  62 0.23 2
  63 12.1 121
  73 2.8 28
  74 9.2 92
  75 3.69 37
  77 5.7 57
  84 2.3 23
  109 2.8 28
  110 2.25 23
  111 2.8 28
  112 4 40
  126 7.5 75
  137 0.23 2
  138 39.3 393
  139 2.3 23
  140 11.5 115
  153 0.63 6
  154 19.6 196
  155 2.8 28
  156 2.8 28
  169 0.23 2
  184 99.99 999
  185 21.9 219
  186 35.2 352
  187 0.28 3
  215 35.8 358
  217 9.2 92
//
