ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002335
RECORD_TITLE: 2-(1-METHYL-3-BUTENYL)CYCLOHEXANONE; 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$NAME: 2-(1-METHYL-3-BUTENYL)CYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₈O
CH$EXACT_MASS: 166.13577
CH$SMILES: C=CCC(C)C(C1)C(=O)CCC1
CH$IUPAC: InChI=1S/C11H18O/c1-3-6-9(2)10-7-4-5-8-11(10)12/h3,9-10H,1,4-8H2,2H3
CH$LINK: INCHIKEY DRGWHWMMHCDREE-UHFFFAOYSA-N

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$SPLASH: splash10-0002-9100000000-690a32b6a414dec01d87
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  42 23.01 230
  43 3.66 37
  51 1.59 16
  53 5.01 50
  54 1.95 20
  55 34.12 341
  56 1.92 19
  57 1.5 15
  65 1.83 18
  67 8.88 89
  68 4.45 45
  69 7.19 72
  70 21.14 211
  71 1.22 12
  77 2.51 25
  79 5.34 53
  80 1.95 20
  81 9.56 96
  83 14.93 149
  84 1.15 12
  91 6.88 69
  92 1.14 11
  93 1.47 15
  95 1.9 19
  97 12.13 121
  98 99.99 999
  99 6.97 70
  105 4.37 44
  106 2.14 21
  107 1.92 19
  109 1.81 18
  119 1.92 19
  125 2.53 25
  131 1.67 17
  133 2.73 27
  137 2.08 21
  148 4 40
  149 1.18 12
  151 3.41 34
  166 5.79 58
//