ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005801
RECORD_TITLE: (S)-2-METHYL-5-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: (S)-2-METHYL-5-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-ONE
CH$NAME: L-CARVONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O
CH$EXACT_MASS: 150.10447
CH$SMILES: CC(=C)C([H])(C1)CC(=O)C(C)=C([H])1
CH$IUPAC: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1
CH$LINK: CAS 2244-16-8
CH$LINK: INCHIKEY ULDHMXUKGWMISQ-VIFPVBQESA-N
CH$LINK: COMPTOX DTXSID8020256

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0a59-9200000000-b8485ca29dc163ef7386
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  51 1.37 14
  52 3.9 39
  53 1.66 17
  54 10.29 103
  55 37.45 375
  56 3.65 37
  58 12.54 125
  63 1.27 13
  65 4.05 41
  66 1.5 15
  67 6.3 63
  68 1.74 17
  69 3.87 39
  77 6.38 64
  78 1.62 16
  79 9.35 94
  80 4.4 44
  81 2.25 23
  82 99.99 999
  83 5.36 54
  91 8.12 81
  92 4.89 49
  93 25.63 256
  94 5.72 57
  95 3.72 37
  105 2.64 26
  106 13.23 132
  107 16 160
  108 29.94 299
  109 3.77 38
  117 0.9 9
  119 1.03 10
  121 1.58 16
  122 1.51 15
  135 3.04 30
  150 10.11 101
  151 1.02 10
//