MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009316
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009316
RECORD_TITLE: DIETHYLENE GLYCOL DIETHYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: DIETHYLENE GLYCOL DIETHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18O3
CH$EXACT_MASS: 162.12559
CH$SMILES: CCOCCOCCOCC
CH$IUPAC: InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY
RRQYJINTUHWNHW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3025047
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0592-9000000000-4e9ad418fc4bb959f015
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
29 6.7 67
31 16.8 168
41 1.6 16
43 0.87 9
44 7.8 78
45 99.99 999
46 2.5 25
58 0.11 1
59 58.1 581
60 2.5 25
72 76.4 764
73 5.56 56
74 2.7 27
89 4 40
90 2.3 23
101 0.18 2
103 8.8 88
116 4.5 45
117 1.4 14
//
system version 2.2.6-SNAPSHOT