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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008410

PARA-TERT-BUTYLCYCLOHEXANOL; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008410
RECORD_TITLE: PARA-TERT-BUTYLCYCLOHEXANOL; 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$NAME: PARA-TERT-BUTYLCYCLOHEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O
CH$EXACT_MASS: 156.15142
CH$SMILES: OC(C1)CCC(C1)C(C)(C)C
CH$IUPAC: InChI=1S/C10H20O/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3
CH$LINK: INCHIKEY CCOQPGVQAWPUPE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5026623

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$SPLASH: splash10-0a59-9000000000-87dfc318ffec63bd8e05
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  15 1.13 11
  27 7.63 76
  28 1.85 19
  29 20.88 209
  31 2.43 24
  39 9.07 91
  40 1.59 16
  41 44.59 446
  42 2.55 26
  43 10.9 109
  44 5.43 54
  45 1.08 11
  53 5.47 55
  54 9.7 97
  55 20.3 203
  56 34.89 349
  57 99.99 999
  58 3.92 39
  59 1 10
  65 1.17 12
  66 1.06 11
  67 43.42 434
  68 3.27 33
  69 5.49 55
  70 1.79 18
  71 1 10
  77 1.61 16
  79 4.06 41
  80 26.94 269
  81 33.95 340
  82 37.67 377
  83 26.05 261
  84 1.43 14
  95 2.49 25
  98 3.41 34
  99 23.79 238
  100 2.2 22
  101 4.9 49
  123 10.13 101
  124 1 10
//

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