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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007395

PARA-MENTHANE (2,2-D2); EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007395
RECORD_TITLE: PARA-MENTHANE (2,2-D2); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PARA-MENTHANE (2,2-D2)
CH$NAME: 1-METHYL-4-(1-METHYLETHYL)CYCLOHEXANE (2,2-D2)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20
CH$EXACT_MASS: 140.15650
CH$SMILES: CC(C)C(C1)CC([2H])([2H])C(C)C1
CH$IUPAC: InChI=1S/C10H20/c1-8(2)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3/i4D2
CH$LINK: INCHIKEY CFJYNSNXFXLKNS-APZFVMQVSA-N

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-9000000000-90cb481b6eab2bc4c5dd
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  41 1.34 13
  42 1.72 17
  43 4.35 44
  44 1.27 13
  55 16.49 165
  56 38.85 389
  57 25.93 259
  58 2.8 28
  68 1.75 18
  69 5.82 58
  70 8.81 88
  71 7.81 78
  72 1.24 12
  81 1.66 17
  82 6.72 67
  83 19.93 199
  84 4.28 43
  85 5.8 58
  97 6.08 61
  98 65.2 652
  99 99.99 999
  100 12.61 126
  101 1.73 17
  142 12.09 121
  143 1.81 18
//

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