MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006004

1-METHYLCYCLOHEXENE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006004
RECORD_TITLE: 1-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$NAME: 1-METHYLCYCLOHEXENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂
CH$EXACT_MASS: 96.09390
CH$SMILES: [H]C(C1)=C(C)CCC1
CH$IUPAC: InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3
CH$LINK: INCHIKEY CTMHWPIWNRWQEG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3060451

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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$SPLASH: splash10-014j-9000000000-647593ba4bcdcbf24bbb
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  39 1.9 19
  40 1.6 16
  41 4.6 46
  53 0.69 7
  54 14.8 148
  55 25.2 252
  56 1.6 16
  66 0.22 2
  67 31.4 314
  68 39 390
  96 51.9 519
  97 3.9 39
//