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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002856

BETA-BERGAMOTENE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002856
RECORD_TITLE: BETA-BERGAMOTENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: BETA-BERGAMOTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C)=CCCC(C)(C([H])21)C([H])(C(=C)CC2)C1
CH$IUPAC: InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14-,15-/m0/s1
CH$LINK: INCHIKEY DGZBGCMPRYFWFF-KKUMJFAQSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00kf-9400000000-1553e69975a397f2da4d
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  27 6.2 62
  29 5.6 56
  39 17.1 171
  40 0.3 3
  41 57 570
  42 2.2 22
  43 14.2 142
  51 3 30
  52 0.13 1
  53 10 100
  54 1 10
  55 17 170
  56 0.68 7
  57 3.5 35
  65 3.6 36
  67 4.2 42
  68 0.22 2
  69 34.2 342
  70 3.3 33
  77 14.2 142
  79 1.42 14
  80 4.2 42
  81 7.3 73
  91 25.6 256
  92 1.42 14
  93 68.5 685
  95 8.5 85
  97 2.8 28
  102 0.22 2
  103 2.2 22
  105 17 170
  107 22.8 228
  109 0.85 9
  119 99.99 999
  120 14.2 142
  121 2.8 28
  133 0.05 1
  134 1.6 16
  135 2.8 28
  136 1.5 15
  161 0.28 3
//

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