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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006606

PULEGONE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006606
RECORD_TITLE: PULEGONE; 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$NAME: PULEGONE
CH$NAME: 5-METHYL-2-(1-METHYLETHYLIDENE)CYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O
CH$EXACT_MASS: 152.12012
CH$SMILES: CC(C1)CC(=O)C(C1)=C(C)C
CH$IUPAC: InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3
CH$LINK: INCHIKEY NZGWDASTMWDZIW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3051757

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$SPLASH: splash10-0f89-9200000000-103da19d7e73140f53a7
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  15 3.35 34
  26 1.36 14
  27 22.89 229
  29 11.4 114
  38 1.92 19
  39 40.33 403
  40 5.23 52
  41 52.62 526
  42 8.44 84
  43 11.54 115
  50 2.06 21
  51 7.33 73
  52 4.46 45
  53 23.94 239
  54 5.67 57
  55 12.65 127
  56 2.52 25
  63 2.32 23
  65 6.81 68
  66 3.64 36
  67 66.79 668
  68 20.06 201
  69 19.72 197
  70 2.03 20
  77 7.23 72
  78 2.11 21
  79 8.13 81
  80 8.39 84
  81 99.99 999
  82 35.21 352
  83 3.69 37
  91 4.5 45
  92 1.04 10
  93 2.47 25
  94 1.8 18
  95 12.81 128
  96 2.72 27
  97 1.59 16
  105 1.21 12
  107 1.66 17
  108 1.47 15
  109 42.2 422
  110 6.76 68
  119 2.16 22
  123 1.92 19
  124 1.49 15
  137 21.39 214
  138 1.77 18
  152 56.47 565
  153 5.75 58
//

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