ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002262
RECORD_TITLE: 2-(1-PROPYL-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$NAME: 2-(1-PROPYL-3-BUTENYL)CYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₂O
CH$EXACT_MASS: 194.16707
CH$SMILES: CCCC(CC=C)C(C1)C(=O)CCC1
CH$IUPAC: InChI=1S/C13H22O/c1-3-7-11(8-4-2)12-9-5-6-10-13(12)14/h3,11-12H,1,4-10H2,2H3
CH$LINK: INCHIKEY IFAVPAZDGBNKPQ-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$SPLASH: splash10-0002-9100000000-ee79ab475e57e966dde2
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  42 16 160
  43 1.77 18
  53 3.28 33
  54 3.8 38
  55 17.55 176
  57 2.43 24
  65 2.3 23
  67 9.65 97
  69 7.51 75
  70 13.54 135
  77 3.07 31
  79 5.97 60
  80 1.78 18
  81 7.23 72
  83 12.77 128
  91 9.2 92
  93 3.17 32
  95 3.12 31
  96 4.11 41
  97 11.19 112
  98 99.99 999
  99 7.06 71
  105 2.72 27
  111 2.41 24
  129 1.71 17
  131 2.91 29
  133 6.14 61
  134 2.13 21
  145 2.95 30
  147 3.1 31
  151 8.03 80
  153 1.8 18
  176 3.69 37
  194 2.53 25
//