MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006196

TRIETHYLENE GLYCOL MONOMETHYL ETHER; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006196
RECORD_TITLE: TRIETHYLENE GLYCOL MONOMETHYL 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

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CH$NAME: TRIETHYLENE GLYCOL MONOMETHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₆O₄
CH$EXACT_MASS: 164.10486
CH$SMILES: COCCOCCOCCO
CH$IUPAC: InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3
CH$LINK: INCHIKEY JLGLQAWTXXGVEM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5026912

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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

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PK$SPLASH: splash10-014i-1900000000-d8d9a7d9b09505c76950
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  87 2.96 30
  88 2.59 26
  89 10.12 101
  102 1.46 15
  103 17.98 180
  104 1.01 10
  133 4.42 44
  147 1.21 12
  165 99.99 999
  166 12.01 120
  167 1.73 17
//