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MassBank Record: JP010478

1,1,1-TRIETHOXYETHANE; EI-B; MS

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

ACCESSION: JP010478
RECORD_TITLE: 1,1,1-TRIETHOXYETHANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: 1,1,1-TRIETHOXYETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18O3
CH$EXACT_MASS: 162.12559
CH$SMILES: CCOC(C)(OCC)OCC
CH$IUPAC: InChI=1S/C8H18O3/c1-5-9-8(4,10-6-2)11-7-3/h5-7H2,1-4H3
CH$LINK: INCHIKEY NDQXKKFRNOPRDW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4058815

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$SPLASH: splash10-01r6-9100000000-1bbab8b7e4264ed57c95
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  19 1.47 15
  26 7.62 76
  27 35.14 351
  28 5.71 57
  29 56.7 567
  30 4.98 50
  31 19.48 195
  39 1.09 11
  41 2.4 24
  42 23.63 236
  43 99.99 999
  44 3.6 36
  45 16.81 168
  46 2.25 23
  47 2.61 26
  59 1.15 12
  60 15.66 157
  61 96.49 965
  62 2.36 24
  63 6.26 63
  70 1.25 13
  73 1.57 16
  75 1.31 13
  87 1.07 11
  89 27.6 276
  90 1.35 14
  91 3.22 32
  116 3.93 39
  117 55.86 559
  118 3.91 39
  119 1.37 14
  147 4.97 50
//

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