ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009274
RECORD_TITLE: PROPANAL ETHYL ISOPENTYL 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$NAME: PROPANAL ETHYL ISOPENTYL ACETAL
CH$NAME: PROPANAL ETHYL ISOAMYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₂O₂
CH$EXACT_MASS: 174.16198
CH$SMILES: CCOC(CC)OCCC(C)C
CH$IUPAC: InChI=1S/C10H22O2/c1-5-10(11-6-2)12-8-7-9(3)4/h9-10H,5-8H2,1-4H3
CH$LINK: COMPTOX DTXSID60698088
CH$LINK: INCHIKEY WMLCXIOXLJBRRH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:53422435

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$SPLASH: splash10-0076-9000000000-e64a593314528744b175
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  15 1.3 13
  27 17.3 173
  28 3.2 32
  29 2.69 27
  30 1.4 14
  31 17.4 174
  39 6.4 64
  40 0.14 1
  41 24.3 243
  42 4.1 41
  43 80.6 806
  44 0.25 3
  45 2.6 26
  47 13.1 131
  53 1.4 14
  55 1.3 13
  56 1.4 14
  57 5.4 54
  58 2.9 29
  59 5.76 58
  60 1.7 17
  69 1.1 11
  70 1.3 13
  71 99.99 999
  72 4.5 45
  75 16 160
  87 78 780
  88 0.35 4
  129 6.3 63
  145 16.5 165
  146 1.3 13
//