ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009021
RECORD_TITLE: METHYL LEVULINATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL LEVULINATE
CH$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$LINK: CAS 624-45-3
CH$LINK: INCHIKEY UAGJVSRUFNSIHR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80211455

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9000000000-bb7c3071a74cb6e1f66a
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  15 12.91 129
  26 2.46 25
  27 10.14 101
  29 4.65 47
  31 1.44 14
  39 2.07 21
  41 1.83 18
  42 7.16 72
  43 99.99 999
  44 2.13 21
  45 2.44 24
  55 16.8 168
  56 4.14 41
  57 8.82 88
  59 12.1 121
  71 6.18 62
  87 5.05 51
  88 9.27 93
  98 5.39 54
  99 21.74 217
  100 1.31 13
  115 18.07 181
  130 1.97 20
//