MassBank Record: JP010330

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1,1,1-TRIMETHOXYETHANE; EI-B; MS
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n
metabolomics-usi visualisation

ACCESSION: JP010330
RECORD_TITLE: 1,1,1-TRIMETHOXYETHANE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 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 //