ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008969
RECORD_TITLE: HEXYL ETHER; 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

CH$NAME: HEXYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₆O
CH$EXACT_MASS: 186.19837
CH$SMILES: CCCCCCOCCCCCC
CH$IUPAC: InChI=1S/C12H26O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3
CH$LINK: INCHIKEY BPIUIOXAFBGMNB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8059421

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001c-9000000000-d7c4af6bb92d84b7bea3
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  41 2.4 24
  42 5.1 51
  43 66.4 664
  44 0.23 2
  45 1.1 11
  55 8.8 88
  56 39.1 391
  57 1.4 14
  69 9.9 99
  70 1.3 13
  72 1 10
  82 0.18 2
  83 18.7 187
  84 33.8 338
  85 99.99 999
  86 0.67 7
  101 1.6 16
  103 4.3 43
  115 4.3 43
//