ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010596
RECORD_TITLE: METHYL LACTATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL LACTATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₈O₃
CH$EXACT_MASS: 104.04734
CH$SMILES: COC(=O)C(C)O
CH$IUPAC: InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3
CH$LINK: INCHIKEY LPEKGGXMPWTOCB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0027197

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-9000000000-4535fd4d0690feab67ad
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  15 7.2 72
  26 1.2 12
  27 7 70
  28 0.1 1
  29 7.8 78
  30 1.4 14
  31 2 20
  33 1.72 17
  42 1.2 12
  43 9 90
  44 2 20
  45 99.99 999
  46 2.2 22
  59 2.5 25
  61 3.3 33
  89 0.12 1
  104 0.4 4
//