ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005993
RECORD_TITLE: 2-METHYLCYCLOPENTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2-METHYLCYCLOPENTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O
CH$EXACT_MASS: 98.07316
CH$SMILES: CC(C1)C(=O)CC1
CH$IUPAC: InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h5H,2-4H2,1H3
CH$LINK: INCHIKEY ZIXLDMFVRPABBX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50862554

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9000000000-73a9544efa333e371a61
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 2.1 21
  26 4.2 42
  27 21.7 217
  28 1.77 18
  29 8.6 86
  37 1.3 13
  38 2.9 29
  39 2.14 21
  40 5.8 58
  41 39.1 391
  42 99.99 999
  43 1.17 12
  50 1.6 16
  51 2.1 21
  53 3.4 34
  54 0.43 4
  55 30.3 303
  56 12.6 126
  57 1.6 16
  69 2.95 30
  70 17.2 172
  71 1.3 13
  80 4.1 41
  83 1.01 10
  97 2.6 26
  98 39.2 392
  99 2.8 28
//