ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006605
RECORD_TITLE: PIPERITONE; 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$NAME: PIPERITONE
CH$NAME: 3-METHYL-6-ISOPROPYLCYCLOHEX-2-EN-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆O
CH$EXACT_MASS: 152.12012
CH$SMILES: CC(C)C(C1)C(=O)C=C(C)C1
CH$IUPAC: InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3
CH$LINK: INCHIKEY YSTPAHQEHQSRJD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7052604

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$SPLASH: splash10-01qi-9300000000-f92830f958dd7b7816c0
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  15 1.59 16
  27 22.81 228
  28 9.96 100
  29 7.91 79
  38 1.85 19
  39 37.52 375
  40 3.21 32
  41 34.65 347
  42 3.69 37
  43 5.88 59
  50 1.54 15
  51 4.12 41
  52 2.78 28
  53 15.24 152
  54 20.22 202
  55 9.82 98
  56 1.01 10
  63 1.37 14
  65 3.35 34
  66 2.01 20
  67 7.3 73
  68 1.49 15
  69 3.72 37
  77 4.51 45
  78 1.31 13
  79 4.26 43
  81 6.27 63
  82 99.99 999
  83 5.61 56
  91 3.32 33
  94 1.45 15
  95 30.39 304
  96 2.21 22
  107 1.2 12
  108 1.16 12
  109 20.39 204
  110 78.88 789
  111 4.88 49
  123 1.07 11
  124 4.3 43
  137 19.08 191
  138 1.55 16
  152 9.52 95
  153 1.23 12
//