MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002635

INDOLE-2-CARBOXYLIC ACID METHYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002635
RECORD_TITLE: INDOLE-2-CARBOXYLIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

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CH$NAME: INDOLE-2-CARBOXYLIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₉NO₂
CH$EXACT_MASS: 175.06333
CH$SMILES: COC(=O)C1=CC2=CC=CC=C2N1
CH$IUPAC: InChI=1S/C10H9NO2/c1-13-10(12)9-6-7-4-2-3-5-8(7)11-9/h2-6,11H,1H3
CH$LINK: INCHIKEY NQPIEWBAWBFGOB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10152726

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AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0006-0900000000-392d66eda5360eb8f39d
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  42 2.3 23
  62 5.8 58
  63 8.6 86
  89 1.84 18
  115 2.7 27
  116 21.9 219
  117 3.1 31
  144 99.99 999
  145 11.3 113
  146 3.1 31
  175 49.4 494
  176 4.3 43
//