ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010686
RECORD_TITLE: BETA-ELEMENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: BETA-ELEMENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: C=CC(C)(C1)C([H])(C(C)=C)CC([H])(C(C)=C)C1
CH$IUPAC: InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1
CH$LINK: INCHIKEY OPFTUNCRGUEPRZ-QLFBSQMISA-N
CH$LINK: COMPTOX DTXSID60881211

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0a5c-9300000000-5b0ee4d8b7869c2f1150
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  41 74 740
  42 11 110
  43 25 250
  44 0.2 2
  51 7 70
  52 5 50
  53 56.5 565
  54 0.55 6
  55 71.5 715
  56 4.5 45
  57 7.5 75
  63 0.2 2
  65 15 150
  66 7.5 75
  67 63.5 635
  68 7.8 78
  69 28 280
  70 2.5 25
  77 28 280
  78 0.7 7
  79 51.5 515
  80 17.5 175
  81 99.99 999
  82 1.1 11
  83 4.5 45
  91 33 330
  92 14.5 145
  93 8.3 83
  94 29 290
  95 18.5 185
  96 4 40
  97 0.25 3
  106 13 130
  107 51.5 515
  108 33 330
  109 1.35 14
  110 2.5 25
  119 23.5 235
  120 11.5 115
  121 3.4 34
  122 10.5 105
  123 11 110
  133 21 210
  134 1.25 13
  135 16.5 165
  136 5.5 55
  147 30.5 305
  148 1.5 15
  149 6 60
  161 21 210
  162 7 70
  163 0.5 5
  175 5 50
  176 3 30
  189 17.5 175
  190 0.3 3
  204 6.5 65
  205 2 20
//