ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007597
RECORD_TITLE: METHYL 2,4-DIMETHOXY-6-METHYLBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 2,4-DIMETHOXY-6-METHYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₄
CH$EXACT_MASS: 210.08921
CH$SMILES: COc(c1)cc(OC)c(C(=O)OC)c(C)1
CH$IUPAC: InChI=1S/C11H14O4/c1-7-5-8(13-2)6-9(14-3)10(7)11(12)15-4/h5-6H,1-4H3
CH$LINK: CAS 6110-37-8
CH$LINK: INCHIKEY QCEODMDPMRZZDI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80345087

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-004i-1920000000-28d5e574e9c501b579fc
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  65 5.22 52
  76 5.22 52
  77 3.83 38
  90 6.95 70
  92 4.18 42
  121 6.95 70
  135 3.48 35
  136 6.95 70
  148 3.48 35
  151 1.05 11
  164 4.18 42
  165 1.75 18
  178 21.88 219
  179 99.99 999
  210 44.45 445
  211 3.48 35
//