ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004252
RECORD_TITLE: 3-NITROPHENYLACETIC 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$NAME: 3-NITROPHENYLACETIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H9NO4
CH$EXACT_MASS: 195.05316
CH$SMILES: COC(=O)Cc(c1)cc(cc1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C9H9NO4/c1-14-9(11)6-7-3-2-4-8(5-7)10(12)13/h2-5H,6H2,1H3
CH$LINK: INCHIKEY BFGYITRIATVARH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70335755
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$SPLASH: splash10-0077-6900000000-01f089302f3de217abb3
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  35 1 10
  37 3 30
  38 2 20
  39 0.9 9
  44 5 50
  50 5 50
  51 8 80
  52 0.1 1
  53 1 10
  60 1 10
  62 5 50
  63 2.12 21
  64 6 60
  65 10.1 101
  71 1 10
  75 0.1 1
  77 7 70
  78 11 110
  79 3 30
  89 5.25 53
  90 99.99 999
  91 18.1 181
  104 2 20
  105 0.7 7
  106 11.1 111
  117 1 10
  120 87.8 878
  121 3.43 34
  122 2 20
  134 2 20
  136 69.6 696
  137 0.5 5
  149 11.1 111
  164 3 30
  165 4 40
  186 0.1 1
  195 59.5 595
  196 4 40
//
