ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005839
RECORD_TITLE: MONOACETIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: MONOACETIN
CH$NAME: GLYCEROL 1-ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₀O₄
CH$EXACT_MASS: 134.05791
CH$SMILES: OCC(O)COC(C)=O
CH$IUPAC: InChI=1S/C5H10O4/c1-4(7)9-3-5(8)2-6/h5-6,8H,2-3H2,1H3
CH$LINK: INCHIKEY KMZHZAAOEWVPSE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4041579

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$SPLASH: splash10-0f6x-9400000000-bbc2bdc5b98270f8a22a
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  43 99.99 999
  44 5.32 53
  56 1.33 13
  61 3.4 34
  73 2.93 29
  74 8.26 83
  86 4.7 47
  103 51.98 520
  104 2.46 25
  116 1.53 15
//