MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006195
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006195
RECORD_TITLE: TRIETHYLENE GLYCOL DIMETHYL ETHER; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: TRIETHYLENE GLYCOL DIMETHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18O4
CH$EXACT_MASS: 178.12051
CH$SMILES: COCCOCCOCCOC
CH$IUPAC: InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY
YFNKIDBQEZZDLK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8026224
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-0fb9-0900000000-e554a46cba24e974f819
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
87 5.26 53
88 1.22 12
89 3.45 35
102 4.61 46
103 51.07 511
104 3.06 31
133 3.03 30
147 6.75 68
177 2.47 25
179 99.99 999
180 16.71 167
181 2.09 21
//
system version 2.2.8-SNAPSHOT