ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011786
RECORD_TITLE: PARA-ACETOXYBENZOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PARA-ACETOXYBENZOIC ACID METHYL ESTER
CH$NAME: METHYL PARA-ACETOXYBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀O₄
CH$EXACT_MASS: 194.05791
CH$SMILES: COC(=O)c(c1)ccc(OC(C)=O)c1
CH$IUPAC: InChI=1S/C10H10O4/c1-7(11)14-9-5-3-8(4-6-9)10(12)13-2/h3-6H,1-2H3
CH$LINK: INCHIKEY PGJQPLVEUVHSFQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70342085

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$SPLASH: splash10-0fk9-4900000000-c4d17a834af0dc264242
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  15 1.85 19
  29 1.03 10
  38 3.1 31
  39 4.92 49
  41 1.14 11
  42 1.36 14
  43 36.02 360
  50 1.57 16
  51 1.03 10
  52 1.01 10
  53 1.36 14
  62 2.04 20
  63 6.88 69
  64 5.54 55
  65 10.48 105
  66 1.37 14
  75 1.18 12
  77 1.03 10
  92 5.24 52
  93 8.15 82
  95 1.89 19
  120 2.01 20
  121 99.99 999
  122 8.17 82
  123 2.91 29
  135 1.09 11
  151 2.67 27
  152 57.68 577
  153 5.01 50
  163 3.17 32
  194 10.86 109
  195 1.88 19
//