ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002649
RECORD_TITLE: 2-CHLORO-4-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$NAME: 2-CHLORO-4-NITROBENZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H6ClNO4
CH$EXACT_MASS: 214.99854
CH$SMILES: COC(=O)c(c1)c(Cl)cc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C8H6ClNO4/c1-14-8(11)6-3-2-5(10(12)13)4-7(6)9/h2-4H,1H3
CH$LINK: INCHIKEY PICNSXCJRMYANX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30158023
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$SPLASH: splash10-001r-3910000000-ccd41bd60ca98dd8a401
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  50 4.7 47
  51 2.9 29
  59 7.7 77
  63 1.01 10
  73 3.5 35
  74 23.3 233
  75 37.1 371
  76 0.29 3
  77 4.1 41
  84 2.9 29
  109 3.5 35
  110 1.61 16
  111 2.9 29
  112 2.9 29
  119 7.1 71
  126 1.49 15
  128 4.7 47
  137 4.7 47
  138 29.9 299
  139 0.35 4
  140 9.5 95
  154 21.5 215
  156 3.5 35
  184 99.99 999
  185 9.5 95
  186 32.9 329
  187 2.9 29
  198 0.35 4
  215 26.9 269
  217 7.1 71
//
