ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008401
RECORD_TITLE: MENTHENYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: MENTHENYL KETONE
CH$NAME: 1-(PARA-MENTHEN-6-YL)-1-PROPANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₂O
CH$EXACT_MASS: 194.16707
CH$SMILES: CCC(=O)C(C1)C(C)=C([H])CC(C(C)C)1
CH$IUPAC: InChI=1S/C13H22O/c1-5-13(14)12-8-11(9(2)3)7-6-10(12)4/h6,9,11-12H,5,7-8H2,1-4H3
CH$LINK: INCHIKEY DZSVIVLGBJKQAP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8047422

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$SPLASH: splash10-053u-9100000000-c44a159d52a6855d68f1
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  27 14.79 148
  28 5.49 55
  29 34.01 340
  39 8.05 81
  41 21.37 214
  42 1.72 17
  43 15.3 153
  51 2.03 20
  53 7.22 72
  55 6.67 67
  57 87.2 872
  58 2.78 28
  59 3.81 38
  65 3.71 37
  67 6.68 67
  68 2.72 27
  69 15.39 154
  77 12.69 127
  78 2.83 28
  79 13.15 132
  80 2.11 21
  81 99.99 999
  82 6.34 63
  91 9.35 94
  92 7.68 77
  93 21.44 214
  94 3.51 35
  95 24.44 244
  96 2.42 24
  100 3.96 40
  121 2.74 27
  136 5.84 58
  137 25.36 254
  138 4.85 49
  165 2.42 24
  194 6.48 65
//