MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006102

2-ETHYL-1-BUTANOL; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006102
RECORD_TITLE: 2-ETHYL-1-BUTANOL; 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$NAME: 2-ETHYL-1-BUTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄O
CH$EXACT_MASS: 102.10447
CH$SMILES: CCC(CC)CO
CH$IUPAC: InChI=1S/C6H14O/c1-3-6(4-2)5-7/h6-7H,3-5H2,1-2H3
CH$LINK: INCHIKEY TZYRSLHNPKPEFV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2041416

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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$SPLASH: splash10-000i-9000000000-5bdb3a38c9aea9e63326
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  69 3.82 38
  70 11.93 119
  72 10.24 102
  83 4.15 42
  84 8.76 88
  85 99.99 999
  86 6.52 65
  101 3.34 33
  102 0.32 3
  103 0.26 3
//