ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009268
RECORD_TITLE: BUTANAL ISOPENTYL ISOPROPYL 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$NAME: BUTANAL ISOPENTYL ISOPROPYL ACETAL
CH$NAME: BUTANAL ISOAMYL ISOPROPYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₆O₂
CH$EXACT_MASS: 202.19328
CH$SMILES: CCCC(OCCC(C)C)OC(C)C
CH$IUPAC: InChI=1S/C12H26O2/c1-6-7-12(14-11(4)5)13-9-8-10(2)3/h10-12H,6-9H2,1-5H3
CH$LINK: INCHIKEY IYAICXDFPSVBGK-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$SPLASH: splash10-00dl-9100000000-ab101162c687f869d2dc
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  27 16 160
  28 1.6 16
  29 8.7 87
  31 0.4 4
  39 5.3 53
  40 1.2 12
  41 24.7 247
  42 0.52 5
  43 86.1 861
  44 4.3 43
  45 4.3 43
  47 0.12 1
  53 1.4 14
  55 32.7 327
  56 1.9 19
  57 0.3 3
  59 1.1 11
  69 1.5 15
  70 2.5 25
  71 99.99 999
  72 5.6 56
  73 50 500
  74 2.9 29
  89 0.22 2
  115 28.3 283
  116 2.2 22
  117 20.3 203
  118 0.11 1
  143 5.5 55
  159 10.3 103
//