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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005760

UNDECANE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005760
RECORD_TITLE: UNDECANE; 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$NAME: UNDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H24
CH$EXACT_MASS: 156.18780
CH$SMILES: CCCCCCCCCCC
CH$IUPAC: InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3
CH$LINK: CAS 1120-21-4
CH$LINK: INCHIKEY RSJKGSCJYJTIGS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9021689

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0a4l-9000000000-3b14c66dbcb7dadff256
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  39 10.36 104
  40 1.71 17
  42 12.69 127
  43 99.99 999
  44 3.52 35
  51 0.43 4
  52 0.27 3
  53 2.09 21
  54 1.69 17
  55 15.64 156
  56 15.6 156
  57 92.34 923
  58 4.79 48
  67 0.87 9
  68 0.58 6
  69 4.88 49
  70 11.79 118
  71 43.92 439
  72 2.42 24
  82 0.33 3
  83 1.61 16
  84 7.09 71
  85 25.22 252
  86 1.22 12
  97 0.47 5
  98 5.1 51
  99 5.06 51
  100 0.41 4
  112 2.04 20
  113 4.13 41
  114 0.34 3
  126 0.86 9
  127 2.14 21
  128 0.21 2
  156 5.07 51
  157 0.62 6
//

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