ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008400
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$SPLASH: splash10-0563-9100000000-55c645a3c83772fbc25a
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  17 1.09 11
  27 14.21 142
  28 2.06 21
  29 36.12 361
  39 7.97 80
  41 21.44 214
  42 1.41 14
  43 13.73 137
  51 2.37 24
  53 7 70
  55 6.66 67
  57 75.52 755
  58 2.08 21
  59 2.88 29
  65 4.13 41
  66 1.42 14
  67 6.5 65
  68 2.11 21
  69 14.81 148
  77 12.07 121
  78 2.14 21
  79 12.12 121
  80 1.8 18
  81 99.99 999
  82 6.08 61
  83 1.47 15
  91 9.22 92
  92 6.88 69
  93 23.11 231
  94 3 30
  95 24.01 240
  96 2.12 21
  105 1.47 15
  107 1.3 13
  109 1.81 18
  121 2.13 21
  122 1.26 13
  123 1.94 19
  134 1.15 12
  136 9.49 95
  137 39.36 394
  138 4.9 49
  165 1.81 18
  194 6.52 65
  195 1.07 11
//