MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005220

CARANE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005220
RECORD_TITLE: CARANE; CI-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

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CH$NAME: CARANE
CH$NAME: 3,7,7-TRIMETHYLBICYCLO(4,1,0)HEPTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈
CH$EXACT_MASS: 138.14085
CH$SMILES: CC(C2)CC(C(C2)1)C(C)(C)1
CH$IUPAC: InChI=1S/C10H18/c1-7-4-5-8-9(6-7)10(8,2)3/h7-9H,4-6H2,1-3H3
CH$LINK: INCHIKEY BWRHOYDPVJPXMF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10858852

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

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PK$SPLASH: splash10-000i-1900000000-69dd126b4b9ce93ac8b9
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  81 6.21 62
  83 1.39 14
  84 16.97 170
  95 3.6 36
  96 3.57 36
  97 6.84 68
  111 0.91 9
  123 2.59 26
  124 2.18 22
  125 12.35 124
  126 1.33 13
  137 78.52 785
  138 60.89 609
  139 99.99 999
  140 23 230
  141 1.96 20
//