ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004991
RECORD_TITLE: BENZALDEHYDE DIETHYLACETAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: BENZALDEHYDE DIETHYLACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₆O₂
CH$EXACT_MASS: 180.11503
CH$SMILES: CCOC(OCC)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H16O2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
CH$LINK: CAS 774-48-1
CH$LINK: INCHIKEY MAQMEXSLUSZDQM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4061127

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-052r-4900000000-d477bb54640bdf04db22
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  42 0.14 1
  43 1.01 10
  44 0.23 2
  45 0.91 9
  46 0.2 2
  47 8.65 87
  50 1.81 18
  51 6.63 66
  52 1.65 17
  53 0.64 6
  57 0.15 2
  58 0.23 2
  59 0.17 2
  62 0.22 2
  63 1.03 10
  64 0.35 4
  65 0.66 7
  73 0.2 2
  74 0.62 6
  75 6.79 68
  76 0.94 9
  77 18.65 187
  78 3.36 34
  79 33.74 337
  80 2.17 22
  89 1.44 14
  90 1.56 16
  91 2.09 21
  92 0.62 6
  95 0.25 3
  102 0.71 7
  103 5.54 55
  104 0.41 4
  105 11.16 112
  106 3.48 35
  107 66.67 667
  108 5.33 53
  109 0.34 3
  123 1.78 18
  124 0.15 2
  133 0.4 4
  134 0.28 3
  135 99.99 999
  136 10.39 104
  137 0.74 7
  179 0.27 3
  180 0.23 2
//