ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009416
RECORD_TITLE: HEXANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: HEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄
CH$EXACT_MASS: 86.10955
CH$SMILES: CCCCCC
CH$IUPAC: InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
CH$LINK: INCHIKEY VLKZOEOYAKHREP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021917

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-054o-9000000000-2c1489cf6d4c005a89ae
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  14 2.03 20
  15 6.17 62
  26 5.06 51
  27 52.52 525
  28 1.2 12
  29 60.51 605
  30 1.25 13
  38 1.92 19
  39 27.09 271
  40 4.21 42
  41 88.82 888
  42 39.54 395
  43 76.61 766
  44 2.43 24
  50 1.06 11
  51 1.44 14
  53 2.4 24
  55 7.96 80
  56 53.46 535
  57 99.99 999
  58 4.51 45
  71 5.56 56
  85 1.52 15
  86 15.75 158
  87 1.12 11
//