ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008874
RECORD_TITLE: 5-HYDROXY-2-PENTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: 5-HYDROXY-2-PENTANONE
CH$NAME: 3-ACETYLPROPANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₀O₂
CH$EXACT_MASS: 102.06808
CH$SMILES: OCCCC(C)=O
CH$IUPAC: InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h6H,2-4H2,1H3
CH$LINK: INCHIKEY JSHPTIGHEWEXRW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30147917

AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-4bde53f9dab9fdcbca77
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  15 4.52 45
  17 3.98 40
  18 17.23 172
  26 3.33 33
  27 13.19 132
  28 7.31 73
  29 7.84 78
  31 2.14 21
  37 1.66 17
  38 3.09 31
  39 30.24 302
  40 3.09 31
  41 20.74 207
  42 10.7 107
  43 99.99 999
  44 3.86 39
  50 3.39 34
  51 3.74 37
  52 2.02 20
  53 11.05 111
  54 12.83 128
  55 13.67 137
  56 2.55 26
  58 3.92 39
  68 1.84 18
  69 7.78 78
  83 17.23 172
  84 30.07 301
  85 3.27 33
//