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MassBank Record: JP012231

1-UNDECENE; CI-B; MS

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

ACCESSION: JP012231
RECORD_TITLE: 1-UNDECENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1-UNDECENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22
CH$EXACT_MASS: 154.17215
CH$SMILES: CCCCCCCCCC=C
CH$IUPAC: InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3
CH$LINK: CAS 821-95-4
CH$LINK: INCHIKEY DCTOHCCUXLBQMS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5061168

AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

PK$SPLASH: splash10-05a2-9100000000-64fb0a9f78c8bae0e32b
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  55 7.19 72
  57 93.68 937
  58 4.33 43
  69 31.28 313
  70 4.07 41
  71 99.99 999
  72 5.79 58
  81 2.71 27
  82 1.5 15
  83 94.14 941
  84 8.19 82
  85 82.43 824
  86 5.07 51
  95 2.12 21
  97 91.83 918
  98 8.09 81
  99 38.71 387
  100 3.12 31
  111 17.87 179
  112 1.29 13
  113 13.48 135
  114 1.58 16
  125 1.9 19
  127 2.94 29
  141 1.31 13
  153 11.98 120
  154 5.45 55
  155 32.9 329
  156 3.85 39
//

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