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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006601

CARVONE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006601
RECORD_TITLE: CARVONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: CARVONE
CH$NAME: 2-METHYL-5-(1-METHYLETHENYL)-2-CYCLOHEXENE-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O
CH$EXACT_MASS: 150.10447
CH$SMILES: CC(=C)C(C1)CC(=O)C(C)=C1
CH$IUPAC: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3
CH$LINK: INCHIKEY ULDHMXUKGWMISQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8047426

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0f8c-9100000000-64d2436851c170c3898a
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  26 1.11 11
  27 15.78 158
  29 2.92 29
  38 1.76 18
  39 38.33 383
  40 5.02 50
  41 24.18 242
  42 2.44 24
  43 1.48 15
  50 2.67 27
  51 7.53 75
  52 3.32 33
  53 19.62 196
  54 44.88 449
  55 4.17 42
  58 8.8 88
  63 1.65 17
  65 5.26 53
  66 2.13 21
  67 8.82 88
  68 2.05 21
  69 2.74 27
  77 8.27 83
  78 1.81 18
  79 12.59 126
  80 4.44 44
  81 2.56 26
  82 99.99 999
  83 5 50
  91 9.63 96
  92 3.54 35
  93 25.92 259
  94 4.89 49
  95 2.46 25
  105 1.72 17
  106 10.72 107
  107 15.63 156
  108 26.86 269
  109 2.75 28
  121 1.13 11
  122 1.23 12
  135 2.16 22
  150 6.41 64
//

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