MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006185

2-BUTOXYETHYL ACETATE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006185
RECORD_TITLE: 2-BUTOXYETHYL ACETATE; 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$NAME: 2-BUTOXYETHYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₃
CH$EXACT_MASS: 160.10994
CH$SMILES: CCCCOCCOC(C)=O
CH$IUPAC: InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3
CH$LINK: INCHIKEY NQBXSWAWVZHKBZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1026904

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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$SPLASH: splash10-01p9-9800000000-5427678c2db65c27deef
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  85 4.52 45
  87 99.99 999
  88 7.11 71
  100 3.07 31
  102 6.3 63
  105 1.76 18
  161 90.49 905
  162 8.47 85
//