MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005822

1,3-DIMETHYL PHTHALAE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005822
RECORD_TITLE: 1,3-DIMETHYL PHTHALAE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: 1,3-DIMETHYL PHTHALAE
CH$NAME: ISOPHTHALIC ACID DIMETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀O₄
CH$EXACT_MASS: 194.05791
CH$SMILES: COC(=O)c(c1)cc(cc1)C(=O)OC
CH$IUPAC: InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3
CH$LINK: INCHIKEY VNGOYPQMJFJDLV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8027402

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-03di-0900000000-3de6102168fe34a5dd3f
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  103 1.88 19
  120 2 20
  135 11.22 112
  136 1.21 12
  149 1.32 13
  163 99.99 999
  164 10.91 109
  165 1.21 12
  193 4.1 41
  194 43.02 430
  195 5.16 52
//