ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002646
RECORD_TITLE: 2-CHLORO-5-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$NAME: 2-CHLORO-5-NITROBENZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H6ClNO4
CH$EXACT_MASS: 214.99854
CH$SMILES: COC(=O)c(c1)c(Cl)ccc([N+1]([O-1])=O)1
CH$IUPAC: InChI=1S/C8H6ClNO4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,1H3
CH$LINK: COMPTOX DTXSID90212397
CH$LINK: INCHIKEY VCYWZLGOWNCJNJ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:22754
AC$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: splash10-001i-2910000000-49e92828797ffcb471e4
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  44 3.6 36
  50 3 30
  51 2.4 24
  63 0.9 9
  73 2.4 24
  74 19.3 193
  75 34.5 345
  77 0.42 4
  84 2.4 24
  109 4.8 48
  110 18.7 187
  111 0.18 2
  112 4.8 48
  126 9 90
  137 2.4 24
  138 2.96 30
  139 2.4 24
  140 9 90
  153 4.8 48
  154 1.15 12
  156 1.8 18
  169 1.8 18
  184 99.99 999
  185 1.63 16
  186 37.5 375
  187 4.8 48
  215 26.6 266
  217 1.2 12
//
