ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009407
RECORD_TITLE: METHYL ACETYLSALICYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: METHYL ACETYLSALICYLATE
CH$NAME: METHYL 2-ACETHOXYBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀O₄
CH$EXACT_MASS: 194.05791
CH$SMILES: COC(=O)c(c1)c(ccc1)OC(C)=O
CH$IUPAC: InChI=1S/C10H10O4/c1-7(11)14-9-6-4-3-5-8(9)10(12)13-2/h3-6H,1-2H3
CH$LINK: INCHIKEY ONWPLBKWMAUFGZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20206724

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0fkc-9700000000-9c56fa1f8fda05f01113
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  15 23.79 238
  27 1.79 18
  29 4.1 41
  37 2.07 21
  38 7.73 77
  39 12.43 124
  41 2.62 26
  42 4.23 42
  43 74.89 749
  44 1.71 17
  50 4.07 41
  51 2.72 27
  52 2.41 24
  53 4.21 42
  59 2.17 22
  61 1.05 11
  62 3.8 38
  63 17.09 171
  64 15.84 158
  65 12.94 129
  66 1.23 12
  74 1.23 12
  76 1.68 17
  77 4.33 43
  92 45.1 451
  93 7.1 71
  95 3.47 35
  120 99.99 999
  121 32.32 323
  122 2.76 28
  152 73.68 737
  153 7.44 74
  163 5.5 55
//