ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005251
RECORD_TITLE: 5-METHOXYINDOLE-3-ACETIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 5-METHOXYINDOLE-3-ACETIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₃NO₃
CH$EXACT_MASS: 219.08954
CH$SMILES: COC1=CC2=C(C=C1)NC=C2CC(=O)OC
CH$IUPAC: InChI=1S/C12H13NO3/c1-15-9-3-4-11-10(6-9)8(7-13-11)5-12(14)16-2/h3-4,6-7,13H,5H2,1-2H3
CH$LINK: INCHIKEY UZOYTCVZJBYXIA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00344193

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03di-2900000000-c6e9d722a4b2c3f3fb0a
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  39 4.6 46
  44 2.5 25
  51 4.6 46
  59 0.33 3
  62 3.3 33
  63 7.5 75
  80 3.7 37
  89 0.87 9
  90 6.6 66
  91 2.5 25
  116 5 50
  117 1.49 15
  118 2.9 29
  130 2.5 25
  144 3.7 37
  145 1.82 18
  147 4.6 46
  159 4.1 41
  160 99.99 999
  161 1.49 15
  175 3.3 33
  177 2.9 29
  204 0.8 8
  219 4.26 43
  220 6.2 62
//