ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011033
RECORD_TITLE: METHYL (2-TROPONYLOXY)ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKESHITA H, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL (2-TROPONYLOXY)ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀O₄
CH$EXACT_MASS: 194.05791
CH$SMILES: COC(=O)COC(=C1)C(=O)C=CC=C1
CH$IUPAC: InChI=1S/C10H10O4/c1-13-10(12)7-14-9-6-4-2-3-5-8(9)11/h2-6H,7H2,1H3
CH$LINK: INCHIKEY ABVAAXUFYQFKAF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:85606792

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0550-9500000000-2bd7a8106f7f90908c7a
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  37 8.9 89
  38 52.8 528
  39 4.69 47
  41 8.69 87
  42 8.94 89
  43 5.56 56
  44 15.99 160
  50 18.11 181
  51 55.3 553
  52 6.37 64
  53 4.4 44
  59 6.15 62
  62 7.02 70
  63 14.1 141
  64 6.18 62
  65 35.94 359
  66 4.97 50
  76 4.33 43
  77 83.87 839
  78 38.78 388
  79 16.24 162
  94 8.33 83
  105 62.25 623
  106 26.54 265
  107 15.16 152
  122 3.05 31
  123 2.71 27
  134 2.83 28
  135 99.99 999
  136 7.87 79
  163 7.58 76
  179 5.73 57
  194 21.06 211
  195 2.31 23
//