ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008455
RECORD_TITLE: NONANAL DIETHYL 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$NAME: NONANAL DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₈O₂
CH$EXACT_MASS: 216.20893
CH$SMILES: CCCCCCCCC(OCC)OCC
CH$IUPAC: InChI=1S/C13H28O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h13H,4-12H2,1-3H3
CH$LINK: INCHIKEY RJMSGTVQHHFVLK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7068976

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$SPLASH: splash10-0zi0-9300000000-28bd6b6048dc32f81deb
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  26 1.14 11
  27 14.48 145
  29 27.5 275
  31 11.39 114
  39 4.02 40
  41 20.59 206
  42 3.09 31
  43 14.46 145
  44 5.43 54
  45 7.34 73
  46 1.26 13
  47 35.54 355
  53 1.6 16
  54 1.81 18
  55 15.31 153
  56 2.4 24
  57 49.13 491
  58 2.37 24
  59 2.94 29
  67 3.26 33
  68 3.04 30
  69 22.7 227
  70 2.05 21
  71 2.19 22
  72 4.01 40
  75 30.62 306
  81 3.49 35
  82 3.94 39
  83 11.68 117
  85 35.75 358
  86 1.85 19
  95 2.56 26
  96 2.05 21
  97 1.23 12
  99 1.98 20
  103 99.99 999
  104 4.35 44
  127 1.78 18
  141 1.03 10
  170 2.55 26
  171 19.42 194
  172 2.17 22
//