ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007583
RECORD_TITLE: 7-ETHYL-2-METHYLUNDECAN-4-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 7-ETHYL-2-METHYLUNDECAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H28O
CH$EXACT_MASS: 212.21402
CH$SMILES: CCCCC(CC)CCC(=O)CC(C)C
CH$IUPAC: InChI=1S/C14H28O/c1-5-7-8-13(6-2)9-10-14(15)11-12(3)4/h12-13H,5-11H2,1-4H3
CH$LINK: INCHIKEY RLGPVWMQXJXBGR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20281157
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$SPLASH: splash10-0aou-9100000000-dfa29045a73b5ea22b29
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  15 1.81 18
  41 59.66 597
  43 66.67 667
  55 47.65 477
  57 57.16 572
  69 99.99 999
  70 30.14 301
  83 52.96 530
  87 51.16 512
  97 27.94 279
  98 10.42 104
  111 6.52 65
  112 11.92 119
  126 4.71 47
  127 2.11 21
  139 2.41 24
  157 23.73 237
  158 2.61 26
  196 4.31 43
  212 0.11 1
//
