ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008638
RECORD_TITLE: VALERALDEHYDE 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$NAME: VALERALDEHYDE DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₂₀O₂
CH$EXACT_MASS: 160.14633
CH$SMILES: CCCCC(OCC)OCC
CH$IUPAC: InChI=1S/C9H20O2/c1-4-7-8-9(10-5-2)11-6-3/h9H,4-8H2,1-3H3
CH$LINK: INCHIKEY XCWKYQWOLSOBCC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4063117

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$SPLASH: splash10-0gdj-9300000000-7ff997e019a72bfc9e85
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  15 1.95 20
  19 1.68 17
  26 2.1 21
  27 27.43 274
  29 48.84 488
  30 1.87 19
  31 14.13 141
  39 7.85 79
  41 27.47 275
  42 2.68 27
  43 11.32 113
  44 10.02 100
  45 13.83 138
  46 1.24 12
  47 74.27 743
  53 1.08 11
  55 3.29 33
  57 38.22 382
  58 6.37 64
  59 5.36 54
  60 1 10
  67 1.13 11
  69 67.6 676
  70 3.4 34
  71 1.25 13
  72 2.41 24
  75 50.36 504
  76 1.29 13
  85 16.62 166
  86 1.31 13
  87 11.38 114
  88 1.85 19
  103 99.99 999
  104 5.55 56
  114 3.65 37
  115 61.83 618
  116 3.92 39
//