ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005250
RECORD_TITLE: INDOLE-3-LACTIC 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$NAME: INDOLE-3-LACTIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₃NO₃
CH$EXACT_MASS: 219.08954
CH$SMILES: COC(=O)C(CC1=CNC2=CC=CC=C21)O
CH$IUPAC: InChI=1S/C12H13NO3/c1-16-12(15)11(14)6-8-7-13-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3
CH$LINK: INCHIKEY YHKXBTJWCNPFQV-UHFFFAOYSA-N

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$SPLASH: splash10-001i-2900000000-03d3856e46ff768c13a8
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 4.2 42
  29 4.2 42
  31 5.8 58
  39 0.33 3
  41 1.6 16
  50 1.6 16
  51 3.3 33
  63 0.23 2
  75 1.9 19
  77 7.4 74
  89 1.9 19
  102 0.28 3
  103 4.4 44
  109 4 40
  115 2.6 26
  130 99.99 999
  131 10.7 107
  132 1.6 16
  143 1.4 14
  159 0.1 1
  160 2.6 26
  170 3.7 37
  201 3.7 37
  219 1.25 13
  220 1.9 19
//