MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003887
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003887
RECORD_TITLE: DIETHYLENE GLYCOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: DIETHYLENE GLYCOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H10O3
CH$EXACT_MASS: 106.06299
CH$SMILES: OCCOCCO
CH$IUPAC: InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
CH$LINK: INCHIKEY
MTHSVFCYNBDYFN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8020462
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-9000000000-afdd6a8f44ec0598b396
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
15 5 50
18 2.3 23
19 9.2 92
27 1.33 13
28 9.5 95
29 11 110
31 13.5 135
43 1 10
44 9.2 92
45 99.99 999
46 2.9 29
75 1.81 18
76 9.2 92
//
system version 2.2.6-SNAPSHOT