ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009112
RECORD_TITLE: ACETALDEHYDE BENZYL PENTYL 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$NAME: ACETALDEHYDE BENZYL PENTYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₂O₂
CH$EXACT_MASS: 222.16198
CH$SMILES: CCCCCOC(C)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C14H22O2/c1-3-4-8-11-15-13(2)16-12-14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3
CH$LINK: INCHIKEY YQAXOOYRJPMFQS-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$SPLASH: splash10-0006-9100000000-6fd392c4587c1285d87b
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 4.88 49
  29 5.86 59
  31 1.11 11
  39 4.78 48
  41 7.94 79
  42 2.4 24
  43 21.35 214
  44 1.08 11
  45 9.81 98
  51 1.96 20
  55 2.96 30
  63 1.13 11
  65 8.68 87
  71 21.83 218
  72 1.04 10
  77 3.4 34
  78 1.05 11
  79 2.13 21
  89 1.66 17
  90 2.57 26
  91 99.99 999
  92 19.96 200
  105 1.86 19
  107 1.49 15
  108 1.44 14
  115 3.53 35
  133 2.82 28
  134 19.57 196
  135 6.38 64
//