ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005678
RECORD_TITLE: 4-METHYL-2-PENTANOL; EI-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

CH$NAME: 4-METHYL-2-PENTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄O
CH$EXACT_MASS: 102.10447
CH$SMILES: CC(C)CC(C)O
CH$IUPAC: InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3
CH$LINK: INCHIKEY WVYWICLMDOOCFB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2026781

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00kb-9000000000-2e5fcad09482e0c50edb
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  41 5.8 58
  42 3.35 34
  43 14.6 146
  44 8.29 83
  45 99.99 999
  46 2.6 26
  55 3.16 32
  56 8.59 86
  57 10.06 101
  58 1.64 16
  69 58.81 588
  70 3.72 37
  83 1.59 16
  84 31.71 317
  85 8.29 83
  87 42.73 427
  88 3.44 34
  101 2.64 26
  102 0.16 2
//