MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003726

3-(3-INDOLYL)-PROPIONIC ACID; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003726
RECORD_TITLE: 3-(3-INDOLYL)-PROPIONIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

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CH$NAME: 3-(3-INDOLYL)-PROPIONIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₁NO₂
CH$EXACT_MASS: 189.07898
CH$SMILES: C1=CC=C2C(=C1)C(=CN2)CCC(=O)O
CH$IUPAC: InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)
CH$LINK: INCHIKEY GOLXRNDWAUTYKT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7061192

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AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-001i-1900000000-7964cf38946a23d63104
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  39 2.4 24
  44 1 10
  45 1 10
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  142 0.21 2
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  145 0.5 5
  146 0.07 1
  189 24.1 241
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//