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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004905

BICYCLO(6.1.0)NONANE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004905
RECORD_TITLE: BICYCLO(6.1.0)NONANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: BICYCLO(6.1.0)NONANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16
CH$EXACT_MASS: 124.12520
CH$SMILES: C(C2)CCC(C1)C(CC2)1
CH$IUPAC: InChI=1S/C9H16/c1-2-4-6-9-7-8(9)5-3-1/h8-9H,1-7H2
CH$LINK: CAS 286-60-2
CH$LINK: INCHIKEY FYECUAIUGWFPJF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50929833

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0gc1-9000000000-137cb3b1e6823371194f
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  41 72.55 726
  42 6.5 65
  51 3.33 33
  52 2.2 22
  53 14.88 149
  54 89.86 899
  55 68.81 688
  56 8.71 87
  57 3.45 35
  65 3.45 35
  66 9.05 91
  67 99.99 999
  68 45.33 453
  69 14.77 148
  70 4.01 40
  77 3.62 36
  79 7.64 76
  80 3.73 37
  81 69.38 694
  82 52 520
  83 12.67 127
  95 37.06 371
  96 69.89 699
  97 5.48 55
  109 4.75 48
  124 16.24 162
  125 1.58 16
//

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