ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002218
RECORD_TITLE: (ORTHO-METHOXYCARBONYL)PHENYLACETIC 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$NAME: (ORTHO-METHOXYCARBONYL)PHENYLACETIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂O₄
CH$EXACT_MASS: 208.07356
CH$SMILES: COC(=O)Cc(c1)c(ccc1)C(=O)OC
CH$IUPAC: InChI=1S/C11H12O4/c1-14-10(12)7-8-5-3-4-6-9(8)11(13)15-2/h3-6H,7H2,1-2H3
CH$LINK: INCHIKEY ROMWRJNZSHFGEK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80291570

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$SPLASH: splash10-002b-3900000000-0cd70492ca6bdf804629
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  38 2.6 26
  39 7.8 78
  50 2.6 26
  51 0.96 10
  52 2.6 26
  53 3.5 35
  62 6.1 61
  63 1.4 14
  64 6.1 61
  65 10.5 105
  75 1.7 17
  76 0.35 4
  77 10.5 105
  78 7 70
  79 2.6 26
  88 0.17 2
  89 25.4 254
  90 21 210
  91 67.5 675
  92 0.35 4
  103 2.6 26
  104 2.6 26
  105 14.9 149
  106 0.35 4
  117 3.5 35
  118 9.6 96
  119 40.3 403
  120 0.43 4
  121 2.6 26
  133 78.9 789
  134 9.6 96
  145 0.26 3
  148 99.99 999
  149 80.7 807
  150 7 70
  163 0.17 2
  176 98.2 982
  177 33.3 333
  178 4.3 43
  208 2.6 26
//