ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009292
RECORD_TITLE: ACETALDEHYDE 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$NAME: ACETALDEHYDE ISOPENTYL ISOPROPYL ACETAL
CH$NAME: ACETALDEHYDE ISOAMYL ISOPROPYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₂O₂
CH$EXACT_MASS: 174.16198
CH$SMILES: CC(C)CCOC(C)OC(C)C
CH$IUPAC: InChI=1S/C10H22O2/c1-8(2)6-7-11-10(5)12-9(3)4/h8-10H,6-7H2,1-5H3
CH$LINK: INCHIKEY FUVLXJQGLJXAQI-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$SPLASH: splash10-007a-9000000000-1b0ab547812b90ffc8fe
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  15 1.8 18
  27 13.9 139
  29 7.9 79
  31 0.17 2
  39 11.8 118
  41 24.7 247
  42 8 80
  43 8.5 85
  44 4.7 47
  45 99.99 999
  46 2.1 21
  53 0.14 1
  55 12.9 129
  56 1.3 13
  57 1.2 12
  58 0.18 2
  59 1.3 13
  61 1.1 11
  69 8.5 85
  70 0.24 2
  71 88.6 886
  72 6.5 65
  87 96.5 965
  88 0.46 5
  89 1.1 11
  115 15.7 157
  116 1.1 11
  117 0.88 9
  159 16.2 162
  160 1.8 18
//