ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010607
RECORD_TITLE: METHYL LEVULINATE; 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$NAME: METHYL LEVULINATE
CH$NAME: BETA-ACETYLPROPIONIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₃
CH$EXACT_MASS: 130.06299
CH$SMILES: COC(=O)CCC(C)=O
CH$IUPAC: InChI=1S/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3
CH$LINK: INCHIKEY UAGJVSRUFNSIHR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80211455

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$SPLASH: splash10-0006-9100000000-820d538b4336c074ba52
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 13 130
  26 2.1 21
  27 8.8 88
  28 0.71 7
  29 2.7 27
  31 1.5 15
  39 2.1 21
  41 0.24 2
  42 5.9 59
  43 99.99 999
  44 2.7 27
  45 0.24 2
  55 17.1 171
  56 4.4 44
  57 12.4 124
  59 1.18 12
  71 6.5 65
  75 1.2 12
  87 6.2 62
  88 1.18 12
  89 1.2 12
  98 6.2 62
  99 28.9 289
  100 0.21 2
  115 19.8 198
  116 1.2 12
  130 8 80
//