ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005853
RECORD_TITLE: PROPIONALDEHYDE DIETHYLACETAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PROPIONALDEHYDE DIETHYLACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₆O₂
CH$EXACT_MASS: 132.11503
CH$SMILES: CCOC(CC)OCC
CH$IUPAC: InChI=1S/C7H16O2/c1-4-7(8-5-2)9-6-3/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY MBNMGGKBGCIEGF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8063593

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a71-9100000000-a305bf033dbbb976c9af
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  15 2.45 25
  26 2 20
  27 16.93 169
  28 6.24 62
  29 34.08 341
  30 2.45 25
  31 29.18 292
  39 3.34 33
  40 1.11 11
  41 12.03 120
  42 1.56 16
  43 3.56 36
  44 1.11 11
  45 7.8 78
  47 61.47 615
  57 10.47 105
  58 7.13 71
  59 99.99 999
  60 3.56 36
  73 1.11 11
  75 29.4 294
  76 1.11 11
  77 1.56 16
  86 2.23 22
  87 68.15 682
  88 4.23 42
  98 1.34 13
  103 49 490
  104 2.9 29
//