MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002652

3-INDOLEACRYLIC ACID METHYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002652
RECORD_TITLE: 3-INDOLEACRYLIC 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$NAME: 3-INDOLEACRYLIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₁NO₂
CH$EXACT_MASS: 201.07898
CH$SMILES: COC(=O)/C=C/C1=CNC2=CC=CC=C21
CH$IUPAC: InChI=1S/C12H11NO2/c1-15-12(14)7-6-9-8-13-11-5-3-2-4-10(9)11/h2-8,13H,1H3/b7-6+
CH$LINK: INCHIKEY JKVXFZPEUCTHQO-VOTSOKGWSA-N

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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$SPLASH: splash10-00di-1900000000-e32b1efad45ef203fff8
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  42 4 40
  63 5.6 56
  67 8.1 81
  70 0.65 7
  71 13 130
  89 5.6 56
  100 9.7 97
  107 0.73 7
  114 12.1 121
  115 46.3 463
  116 5.6 56
  130 1.3 13
  140 5.6 56
  141 15.4 154
  142 17 170
  143 2.03 20
  156 9.7 97
  170 99.99 999
  171 13 130
  201 8.37 84
  202 6.5 65
//