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MassBank Record: JP010330

1,1,1-TRIMETHOXYETHANE; EI-B; MS

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

ACCESSION: JP010330
RECORD_TITLE: 1,1,1-TRIMETHOXYETHANE; 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$NAME: 1,1,1-TRIMETHOXYETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H12O3
CH$EXACT_MASS: 120.07864
CH$SMILES: COC(C)(OC)OC
CH$IUPAC: InChI=1S/C5H12O3/c1-5(6-2,7-3)8-4/h1-4H3
CH$LINK: INCHIKEY HDPNBNXLBDFELL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8027400

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-000f-9000000000-b4d8d942c1e0fda9c212
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  14 4.46 45
  15 24.48 245
  26 1.39 14
  27 6.52 65
  28 4.71 47
  29 15.82 158
  30 2.08 21
  31 11.47 115
  32 6.43 64
  42 14.87 149
  43 99.99 999
  44 2.51 25
  45 6.39 64
  47 7.15 72
  57 6.1 61
  58 3.36 34
  59 2.77 28
  88 16.92 169
  89 44.19 442
  90 2.04 20
  105 7.24 72
//

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