ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008639
RECORD_TITLE: ISOVALERALDEHYDE 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$NAME: ISOVALERALDEHYDE DIETHYL ACETAL
CH$NAME: 3-METHYLBUTANAL DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₂₀O₂
CH$EXACT_MASS: 160.14633
CH$SMILES: CCOC(OCC)CC(C)C
CH$IUPAC: InChI=1S/C9H20O2/c1-5-10-9(11-6-2)7-8(3)4/h8-9H,5-7H2,1-4H3
CH$LINK: INCHIKEY DDGBOLJFAMEBOE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8063208

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$SPLASH: splash10-0fvj-9200000000-6411138c03f16d03262b
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  15 3.11 31
  19 2.17 22
  26 2 20
  27 29.95 300
  29 45.34 453
  30 1.62 16
  31 15.01 150
  39 12.26 123
  41 29.9 299
  42 3.56 36
  43 38.64 386
  44 12.83 128
  45 34.13 341
  46 1.65 17
  47 88.92 889
  53 2.84 28
  55 2.7 27
  57 7.5 75
  59 21.14 211
  61 1.8 18
  68 1 10
  69 45.99 460
  70 2.2 22
  71 33.37 334
  72 3.94 39
  73 3.72 37
  75 55.87 559
  76 1.54 15
  85 1.39 14
  87 4 40
  99 14.02 140
  103 99.99 999
  104 4.39 44
  114 3.74 37
  115 45.14 451
  116 2.74 27
//