ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008634
RECORD_TITLE: 2-METHYLUNDECANAL DIMETHYL ACETAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 2-METHYLUNDECANAL DIMETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H30O2
CH$EXACT_MASS: 230.22458
CH$SMILES: CCCCCCCCCC(C)C(OC)OC
CH$IUPAC: InChI=1S/C14H30O2/c1-5-6-7-8-9-10-11-12-13(2)14(15-3)16-4/h13-14H,5-12H2,1-4H3
CH$LINK: INCHIKEY NJXYRZMLVYMJHM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9052395
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-004i-9000000000-ce4f91c50e5d17394c68
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 1.46 15
  29 4.18 42
  31 1.79 18
  39 1.04 10
  41 7.67 77
  42 1.56 16
  43 4.94 49
  45 3.57 36
  47 4.82 48
  55 5.22 52
  56 1 10
  57 1.64 16
  59 1.29 13
  69 2.72 27
  71 1.58 16
  72 3.32 33
  75 99.99 999
  76 3.25 33
  83 1.12 11
  85 6.08 61
  97 1.15 12
  199 1.64 16
//
