ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007211
RECORD_TITLE: HEXYL METHYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: HEXYL METHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₆O
CH$EXACT_MASS: 116.12012
CH$SMILES: CCCCCCOC
CH$IUPAC: InChI=1S/C7H16O/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3
CH$LINK: INCHIKEY ICBJCVRQDSQPGI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3063594

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-052b-9000000000-1e0f4edc8b6e4132c4e1
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  15 5.05 51
  27 11.62 116
  28 1.48 15
  29 10.98 110
  31 1.38 14
  33 4.86 49
  39 7.16 72
  41 15.58 156
  42 11.96 120
  43 11.71 117
  45 99.99 999
  46 1.95 20
  47 1.02 10
  55 12.13 121
  56 41.65 417
  57 1.94 19
  69 8.9 89
  70 1.27 13
  84 12.94 129
  85 1.04 10
//