ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002647
RECORD_TITLE: 5-CHLORO-2-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$NAME: 5-CHLORO-2-NITROBENZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₆ClNO₄
CH$EXACT_MASS: 214.99854
CH$SMILES: COC(=O)c(c1)c(ccc(Cl)1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C8H6ClNO4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,1H3
CH$LINK: INCHIKEY JGBJHRKCUKTQOE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5044948

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$SPLASH: splash10-01si-6910000000-2ddc3b18a42c5dd3e0ea
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  44 2.5 25
  50 12.4 124
  51 6.2 62
  57 0.84 8
  62 5.8 58
  63 17.2 172
  65 2.9 29
  73 0.32 3
  74 20.5 205
  75 38.4 384
  76 38.4 384
  77 0.87 9
  84 3.2 32
  85 2.9 29
  98 2.9 29
  99 0.25 3
  110 21.2 212
  111 14.6 146
  112 12.8 128
  113 0.51 5
  126 16.4 164
  127 2.9 29
  128 3.2 32
  129 0.25 3
  138 2.5 25
  153 2.9 29
  154 3.2 32
  155 0.4 4
  157 2.9 29
  184 99.99 999
  185 13.9 139
  186 3.58 36
  187 2.9 29
  215 21.9 219
  217 8 80
//