MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005185

2-ETHYLHEXYL ACETATE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005185
RECORD_TITLE: 2-ETHYLHEXYL ACETATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: 2-ETHYLHEXYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCC(CC)COC(C)=O
CH$IUPAC: InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3
CH$LINK: INCHIKEY WOYWLLHHWAMFCB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8026694

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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$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-03k9-0900000000-cce9616b95d1169e7ffb
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  73 2.92 29
  83 2.13 21
  84 1.95 20
  87 3.61 36
  99 1.12 11
  101 7.23 72
  103 8.59 86
  111 2.97 30
  112 4.46 45
  113 99.99 999
  114 8.06 81
  173 55.19 552
  174 5.96 60
//