MassBank Record: JP006773

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ETHYLENE GLYCOL BIS(PROPIONITRILE) ETHER; EI-B; MS
Mass Spectrum
Chemical Structure
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metabolomics-usi visualisation

ACCESSION: JP006773
RECORD_TITLE: ETHYLENE GLYCOL BIS(PROPIONITRILE) ETHER; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYLENE GLYCOL BIS(PROPIONITRILE) ETHER CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H12N2O2 CH$EXACT_MASS: 168.08988 CH$SMILES: N#CCCOCCOCCC#N CH$IUPAC: InChI=1S/C8H12N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-2,5-8H2 CH$LINK: INCHIKEY VTHRQKSLPFJQHN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0044656
AC$INSTRUMENT: HITACHI RMU-6M AC$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$SPLASH: splash10-0ue9-9000000000-8e7dde93da89b12df68d PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 26 3.4 34 27 11.9 119 28 11.22 112 29 7.14 71 31 18.03 180 32 2.38 24 39 1.02 10 40 2.38 24 41 4.08 41 42 2.04 20 43 5.78 58 44 3.4 34 45 22.79 228 46 1.02 10 51 1.36 14 52 2.38 24 53 1.36 14 54 99.99 999 55 10.2 102 56 1.7 17 57 2.38 24 58 1.02 10 66 1.02 10 68 2.72 27 70 1.7 17 71 1.02 10 72 2.04 20 84 42.52 425 85 7.14 71 97 10.54 105 98 14.29 143 99 3.74 37 128 2.04 20 138 2.04 20 141 6.8 68 142 1.02 10 //