ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004762
RECORD_TITLE: 3,5,5-TRIMETHYL-6-METHOXYCARBONYL-2-CYCLOHEXENONE; 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$NAME: 3,5,5-TRIMETHYL-6-METHOXYCARBONYL-2-CYCLOHEXENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16O3
CH$EXACT_MASS: 196.10994
CH$SMILES: COC(=O)C(C(=O)1)C(C)(C)CC(C)=C1
CH$IUPAC: InChI=1S/C11H16O3/c1-7-5-8(12)9(10(13)14-4)11(2,3)6-7/h5,9H,6H2,1-4H3
CH$LINK: INCHIKEY DVRUDYWXVMIYKQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10503153
AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-001i-9400000000-1828f07b8fb0921a8495
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  41 2.26 23
  44 5.36 54
  51 1.57 16
  53 5.53 55
  54 12.25 123
  55 2.57 26
  59 2.13 21
  67 1.42 14
  77 2.48 25
  79 2.19 22
  82 99.99 999
  83 14.33 143
  93 3.37 34
  108 2.91 29
  109 2.52 25
  122 3.69 37
  123 1.64 16
  136 3.08 31
  137 6.97 70
  138 7.08 71
  149 17.28 173
  150 1.9 19
  164 6.29 63
  165 5.03 50
  181 4.9 49
  196 14.01 140
  197 1.69 17
//
