ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002480
RECORD_TITLE: 4-ISOPROPYL-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$NAME: 4-ISOPROPYL-2-CYCLOHEXENONE
CH$NAME: CRYPTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₄O
CH$EXACT_MASS: 138.10447
CH$SMILES: CC(C)C(C1)C=CC(=O)C1
CH$IUPAC: InChI=1S/C9H14O/c1-7(2)8-3-5-9(10)6-4-8/h3,5,7-8H,4,6H2,1-2H3
CH$LINK: INCHIKEY AANMVENRNJYEMK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10862055

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$SPLASH: splash10-0002-9100000000-8be20fa842397bcfd4b4
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  42 32.98 330
  43 42.72 427
  51 2.99 30
  53 5.82 58
  54 4.6 46
  55 11.98 120
  56 2.68 27
  65 5.16 52
  66 7.87 79
  67 24.46 245
  68 15.91 159
  69 3.89 39
  70 2.51 25
  77 4.32 43
  79 4.3 43
  81 20.78 208
  82 6.49 65
  83 7.01 70
  94 2.95 30
  95 58.72 587
  96 99.99 999
  97 16.67 167
  109 3.2 32
  110 3.91 39
  120 3.48 35
  121 5.03 50
  123 5.68 57
  138 23.57 236
  139 2.33 23
//