ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003236
RECORD_TITLE: 4-(2-ACETYL-2-ETHOXYCARBONYL)ETHYL-3,5-DIMETHYLISOXAZOLE; 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$NAME: 4-(2-ACETYL-2-ETHOXYCARBONYL)ETHYL-3,5-DIMETHYLISOXAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H17NO4
CH$EXACT_MASS: 239.11576
CH$SMILES: CCOC(=O)C(C(C)=O)Cc(c(C)1)c(C)on1
CH$IUPAC: InChI=1S/C12H17NO4/c1-5-16-12(15)11(8(3)14)6-10-7(2)13-17-9(10)4/h11H,5-6H2,1-4H3
CH$LINK: INCHIKEY FIBMBTXPEDJQQP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:538971
AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-0296-9700000000-da0c6e7aa5ef2a9435fb
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  42 23 230
  43 99.99 999
  68 58 580
  110 72 720
  124 21 210
  166 17 170
  196 36 360
  239 7 70
//
