ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008693
RECORD_TITLE: 2-METHYLUNDECANAL; 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$NAME: 2-METHYLUNDECANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₄O
CH$EXACT_MASS: 184.18272
CH$SMILES: CCCCCCCCCC(C)C=O
CH$IUPAC: InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h11-12H,3-10H2,1-2H3
CH$LINK: COMPTOX DTXSID9047629
CH$LINK: INCHIKEY NFAVNWJJYQAGNB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:61031

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$SPLASH: splash10-0a4i-9000000000-131946dcf67c5d7db311
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 9.39 94
  29 15.99 160
  39 4.96 50
  41 25.58 256
  42 4.16 42
  43 29.02 290
  53 1.66 17
  54 1.44 14
  55 13.25 133
  56 3.55 36
  57 20.04 200
  58 99.99 999
  59 3.08 31
  67 2.21 22
  68 1.95 20
  69 3.72 37
  70 1.75 18
  71 12.81 128
  72 1.01 10
  81 2.87 29
  82 2.55 26
  83 1.74 17
  85 2.86 29
  95 2.09 21
  96 1.03 10
  97 1.2 12
  126 3.41 34
  142 1.21 12
//