MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011431

4-METHOXYBENZOIC ACID METHYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011431
RECORD_TITLE: 4-METHOXYBENZOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SUMITA Y, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: 4-METHOXYBENZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₃
CH$EXACT_MASS: 166.06299
CH$SMILES: COc(c1)ccc(c1)C(=O)OC
CH$IUPAC: InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
CH$LINK: COMPTOX DTXSID7047645
CH$LINK: INCHIKEY DDIZAANNODHTRB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8499

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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$SPLASH: splash10-00kr-0900000000-3abbfda2a2e2a801ab8c
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  77 8.15 82
  92 3.37 34
  107 7.54 75
  135 99.99 999
  136 9.04 90
  165 2.2 22
  166 65.53 655
  167 6.84 68
  168 1.01 10
//