ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009287
RECORD_TITLE: PROPANAL 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$NAME: PROPANAL ISOPENTYL ISOPROPYL ACETAL
CH$NAME: PROPANAL ISOAMYL ISOPROPYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₄O₂
CH$EXACT_MASS: 188.17763
CH$SMILES: CCC(OCCC(C)C)OC(C)C
CH$IUPAC: InChI=1S/C11H24O2/c1-6-11(13-10(4)5)12-8-7-9(2)3/h9-11H,6-8H2,1-5H3
CH$LINK: INCHIKEY JWKHUAAWOAFUMW-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$SPLASH: splash10-05fu-9200000000-00a7e789767f58e23b2a
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 7.6 76
  29 6.7 67
  31 5.4 54
  39 0.39 4
  41 19 190
  42 3.9 39
  43 67.2 672
  44 0.19 2
  45 3.5 35
  47 1 10
  53 1 10
  55 0.49 5
  58 2.6 26
  59 69.6 696
  60 2.3 23
  69 0.11 1
  71 99.99 999
  72 4.7 47
  74 1 10
  89 0.13 1
  101 39.4 394
  102 2.5 25
  117 15.1 151
  129 0.76 8
  159 9.5 95
  160 1.2 12
//