ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003979
RECORD_TITLE: 5-HEXYL-5-METHYLOXOLAN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 5-HEXYL-5-METHYLOXOLAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₂
CH$EXACT_MASS: 184.14633
CH$SMILES: CCCCCCC(C)(C1)OC(=O)C1
CH$IUPAC: InChI=1S/C11H20O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h3-9H2,1-2H3
CH$LINK: INCHIKEY ALWUKGXLBSQSMA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3041299

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0002-9100000000-6811a818d6994586cd8f
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  27 7.5 75
  28 15.9 159
  29 6.8 68
  32 0.32 3
  39 5 50
  41 17.5 175
  42 3 30
  43 3.85 39
  53 3.5 35
  54 2.9 29
  55 10.3 103
  56 0.9 9
  57 3.1 31
  58 3 30
  67 3.2 32
  68 0.41 4
  69 6.4 64
  70 6.6 66
  71 9.1 91
  81 0.39 4
  83 3 30
  85 2.5 25
  95 2.2 22
  96 0.22 2
  98 2.6 26
  99 99.99 999
  100 8.2 82
  109 0.28 3
  110 2.8 28
  111 2 20
  114 3.5 35
  129 0.45 5
  151 2.9 29
  169 4.2 42
  170 2.1 21
  184 3 30
//