ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009261
RECORD_TITLE: ISOVALERALDEHYDE DIPROPYL 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$NAME: ISOVALERALDEHYDE DIPROPYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₄O₂
CH$EXACT_MASS: 188.17763
CH$SMILES: CCCOC(OCCC)CC(C)C
CH$IUPAC: InChI=1S/C11H24O2/c1-5-7-12-11(9-10(3)4)13-8-6-2/h10-11H,5-9H2,1-4H3
CH$LINK: INCHIKEY SALIHKDQCDUOSH-UHFFFAOYSA-N

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$SPLASH: splash10-0006-9100000000-a64ff374696dad41b532
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 16.8 168
  29 8.5 85
  31 4.9 49
  39 0.63 6
  41 27.3 273
  42 4.4 44
  43 99.99 999
  44 0.61 6
  45 12.9 129
  47 8.3 83
  57 4 40
  59 0.11 1
  69 32.6 326
  70 1.6 16
  71 5.9 59
  85 0.13 1
  87 21.2 212
  89 33.9 339
  90 1.4 14
  113 0.16 2
  129 31.3 313
  130 2.3 23
  131 25.8 258
  132 1.8 18
//