MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006003

3-METHYLCYCLOHEXENE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006003
RECORD_TITLE: 3-METHYLCYCLOHEXENE; EI-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$NAME: 3-METHYLCYCLOHEXENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂
CH$EXACT_MASS: 96.09390
CH$SMILES: CC(C1)C=CCC1
CH$IUPAC: InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3
CH$LINK: INCHIKEY UZPWKTCMUADILM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70862258

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AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-001i-9000000000-2a67e7372bf32ccd207d
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  39 2.2 22
  40 1.3 13
  41 4.7 47
  42 0.12 1
  53 7 70
  54 16 160
  55 2.39 24
  66 2.1 21
  67 26.2 262
  68 3.49 35
  79 6.3 63
  80 1.2 12
  81 99.99 999
  82 0.71 7
  95 6.7 67
  96 40 400
  97 3.5 35
//