ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003358
RECORD_TITLE: BIS(BUTOXYETHYL)ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: BIS(BUTOXYETHYL)ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₆O₃
CH$EXACT_MASS: 218.18819
CH$SMILES: CCCCOCCOCCOCCCC
CH$IUPAC: InChI=1S/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3
CH$LINK: INCHIKEY KZVBBTZJMSWGTK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8025046

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4j-9000000000-e1ff851d7bfa51173645
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  44 7.6 76
  45 75.3 753
  54 7.8 78
  55 23.3 233
  56 99.99 999
  57 4.7 47
  58 12.1 121
  71 0.4 4
  72 6 60
  73 4.2 42
  75 12.9 129
  85 1.18 12
  87 6.7 67
  89 5.4 54
  100 10.5 105
  101 1.32 13
  103 2.5 25
  131 2.2 22
  144 1.6 16
  145 0.26 3
  219 1.8 18
//