MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003420

2-ETHYL-1-HEXANOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003420
RECORD_TITLE: 2-ETHYL-1-HEXANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

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CH$NAME: 2-ETHYL-1-HEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈O
CH$EXACT_MASS: 130.13577
CH$SMILES: CCCCC(CC)CO
CH$IUPAC: InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
CH$LINK: INCHIKEY YIWUKEYIRIRTPP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5020605

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AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a4i-9000000000-51481f3434a1c33554d1
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  39 5.2 52
  41 37.5 375
  42 5.4 54
  43 37.1 371
  55 26.5 265
  56 24.5 245
  57 99.99 999
  58 0.79 8
  69 10.4 104
  70 29.7 297
  83 23.7 237
  84 1.09 11
  98 7.3 73
  112 2.7 27
//