MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009805

METHYL 3,4-METHYLENEDIOXYBENZOATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009805
RECORD_TITLE: METHYL 3,4-METHYLENEDIOXYBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

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CH$NAME: METHYL 3,4-METHYLENEDIOXYBENZOATE
CH$NAME: 3,4-METHYLENEDIOXYBEZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₈O₄
CH$EXACT_MASS: 180.04226
CH$SMILES: COC(=O)c(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C9H8O4/c1-11-9(10)6-2-3-7-8(4-6)13-5-12-7/h2-4H,5H2,1H3
CH$LINK: INCHIKEY QCHGUEIECOASJU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2059809

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AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0002-2900000000-54241e93694b071a67d5
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  39 3.2 32
  62 5.3 53
  63 7.8 78
  65 0.51 5
  74 5.8 58
  91 7.4 74
  119 4.8 48
  121 1.71 17
  149 99.99 999
  150 5.6 56
  179 7.7 77
  180 6.27 63
  181 6.1 61
//