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

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

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

MS$FOCUSED_ION: ION_TYPE [M]+*

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
  50 0.14 1
  51 2.2 22
  52 1 10
  63 2.4 24
  65 0.12 1
  75 1.4 14
  76 1 10
  77 6.2 62
  89 0.22 2
  90 1.4 14
  91 1 10
  101 0.7 7
  102 0.21 2
  103 3.4 34
  115 5.5 55
  116 1.7 17
  117 0.24 2
  129 3.1 31
  130 99.99 999
  131 9.7 97
  142 0.21 2
  143 5.2 52
  144 3.8 38
  145 0.5 5
  146 0.07 1
  189 24.1 241
  190 3.6 36
//