MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006118

TRIMETHYL ORTHOACETATE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006118
RECORD_TITLE: TRIMETHYL ORTHOACETATE; 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$NAME: TRIMETHYL ORTHOACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂O₃
CH$EXACT_MASS: 120.07864
CH$SMILES: COC(C)(OC)OC
CH$IUPAC: InChI=1S/C5H12O3/c1-5(6-2,7-3)8-4/h1-4H3
CH$LINK: INCHIKEY HDPNBNXLBDFELL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8027400

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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$SPLASH: splash10-000i-9000000000-20956694858691dd247b
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  88 2.17 22
  89 99.99 999
  90 5.07 51
  105 3.11 31
//