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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009219

CARVACROL; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009219
RECORD_TITLE: CARVACROL; 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$NAME: CARVACROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O
CH$EXACT_MASS: 150.10447
CH$SMILES: CC(C)c(c1)cc(O)c(C)c1
CH$IUPAC: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
CH$LINK: INCHIKEY RECUKUPTGUEGMW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6042074

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$SPLASH: splash10-000i-6900000000-b77d2bc899f0364b95e6
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  15 2.19 22
  27 9.67 97
  29 1.94 19
  38 1.14 11
  39 12.6 126
  40 1.35 14
  41 8.8 88
  43 2.32 23
  50 2.58 26
  51 8.52 85
  52 3.67 37
  53 5.84 58
  55 2.54 25
  63 4.2 42
  64 1.02 10
  65 6.14 61
  66 2.21 22
  67 1.56 16
  68 1.52 15
  74 1.13 11
  77 14.37 144
  78 4.36 44
  79 8.44 84
  89 1.29 13
  91 21.68 217
  92 2.14 21
  94 1.02 10
  95 1.02 10
  103 2.08 21
  105 5.86 59
  106 1.27 13
  107 9.06 91
  108 2.09 21
  109 1.14 11
  115 6.04 60
  116 1.43 14
  117 5.32 53
  120 1.58 16
  121 3.84 38
  133 2.48 25
  134 1.82 18
  135 99.99 999
  136 9.63 96
  149 1.31 13
  150 30.35 304
  151 3.57 36
//

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