ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009281
RECORD_TITLE: BUTANAL DIISOPROPYL 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$NAME: BUTANAL DIISOPROPYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₂O₂
CH$EXACT_MASS: 174.16198
CH$SMILES: CCCC(OC(C)C)OC(C)C
CH$IUPAC: InChI=1S/C10H22O2/c1-6-7-10(11-8(2)3)12-9(4)5/h8-10H,6-7H2,1-5H3
CH$LINK: INCHIKEY QOJSNHMWGGZTDQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80600860

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$SPLASH: splash10-0076-9000000000-39597eacc0661a1bbb60
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 1.7 17
  27 15.4 154
  29 4.3 43
  31 0.42 4
  39 6.2 62
  40 1.3 13
  41 22.3 223
  42 0.42 4
  43 99.99 999
  44 5.3 53
  45 14.3 143
  47 0.62 6
  55 36.5 365
  56 1.7 17
  57 3.1 31
  59 0.43 4
  71 3.1 31
  72 3.1 31
  73 89.4 894
  74 0.35 4
  85 1.2 12
  89 74.4 744
  90 2.6 26
  115 3.17 32
  116 2.3 23
  131 21.2 212
  132 1.6 16
//