ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009280
RECORD_TITLE: ACETALDEHYDE ISOPENTYL PROPYL 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$NAME: ACETALDEHYDE ISOPENTYL PROPYL ACETAL
CH$NAME: ACETALDEHYDE ISOAMYL PROPYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₂O₂
CH$EXACT_MASS: 174.16198
CH$SMILES: CCCOC(C)OCCC(C)C
CH$IUPAC: InChI=1S/C10H22O2/c1-5-7-11-10(4)12-8-6-9(2)3/h9-10H,5-8H2,1-4H3
CH$LINK: INCHIKEY VPJHYSGCDYPNSB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90699765

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$SPLASH: splash10-0076-9000000000-92c42b85d686b6dd1c5c
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  15 2.5 25
  26 1.9 19
  27 24.1 241
  29 1.36 14
  30 1 10
  31 17.3 173
  39 12.5 125
  41 3.52 35
  42 13.4 134
  43 99.99 999
  44 11.3 113
  45 7.31 73
  46 1.8 18
  53 1.6 16
  55 18.9 189
  56 0.19 2
  57 2.9 29
  58 1.6 16
  59 1.8 18
  61 0.15 2
  69 2.2 22
  70 9.5 95
  71 73.1 731
  72 0.5 5
  86 1.7 17
  87 67.1 671
  88 4 40
  89 0.27 3
  99 1.4 14
  115 22.5 225
  116 1.7 17
  159 1.4 14
  160 1.3 13
//