ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005802
RECORD_TITLE: (R)-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$NAME: (R)-2-METHYL-5-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-ONE
CH$NAME: D-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$IUPAC: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1
CH$LINK: INCHIKEY ULDHMXUKGWMISQ-SECBINFHSA-N
CH$LINK: COMPTOX DTXSID7041413

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$SPLASH: splash10-0a59-9300000000-0663a3956cbefc28418a
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  51 2.06 21
  52 4.53 45
  53 2.36 24
  54 10.69 107
  55 38.95 390
  56 4.22 42
  58 10.96 110
  63 1.35 14
  65 4.88 49
  66 1.68 17
  67 7.27 73
  68 1.7 17
  69 3.77 38
  77 6.92 69
  78 2.08 21
  79 9.39 94
  80 5.08 51
  81 2.86 29
  82 99.99 999
  83 5.64 56
  91 8.89 89
  92 4.22 42
  93 28.69 287
  94 6.3 63
  95 3.79 38
  105 2.86 29
  106 13.32 133
  107 16.39 164
  108 31.21 312
  109 5.74 57
  117 0.88 9
  119 1.66 17
  120 1 10
  121 1.48 15
  122 2.49 25
  132 0.98 10
  135 3.74 37
  150 9.88 99
  151 1.68 17
//