ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009080
RECORD_TITLE: ISOVALERALDEHYDE DIBUTYL 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$NAME: ISOVALERALDEHYDE DIBUTYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₈O₂
CH$EXACT_MASS: 216.20893
CH$SMILES: CCCCOC(OCCCC)CC(C)C
CH$IUPAC: InChI=1S/C13H28O2/c1-5-7-9-14-13(11-12(3)4)15-10-8-6-2/h12-13H,5-11H2,1-4H3
CH$LINK: INCHIKEY RLNQTYONQFCUOR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20539786

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$SPLASH: splash10-0a4l-9200000000-e3efce3f26fd0ce711ce
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 10.17 102
  29 28.32 283
  31 4.12 41
  39 6.33 63
  41 34.46 345
  42 3.24 32
  43 13.55 136
  44 2.97 30
  45 8.15 82
  47 1.33 13
  53 1.01 10
  55 5.25 53
  56 7.36 74
  57 99.99 999
  58 4.4 44
  69 28.8 288
  70 1.43 14
  71 11.56 116
  85 2.85 29
  87 26.85 269
  88 1.19 12
  103 18.81 188
  127 1.41 14
  142 1.05 11
  143 33.4 334
  144 3.23 32
  159 17.92 179
  160 1.48 15
//