ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009081
RECORD_TITLE: HEXANAL ETHYL 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$NAME: HEXANAL ETHYL PENTYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₈O₂
CH$EXACT_MASS: 216.20893
CH$SMILES: CCCCCOC(OCC)CCCCC
CH$IUPAC: InChI=1S/C13H28O2/c1-4-7-9-11-13(14-6-3)15-12-10-8-5-2/h13H,4-12H2,1-3H3
CH$LINK: INCHIKEY QPXFDYQXBUGQMT-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$SPLASH: splash10-004i-9200000000-be59682a450c337f2118
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  27 14.22 142
  29 29.21 292
  31 4.93 49
  39 5.62 56
  41 24.81 248
  42 10.8 108
  43 62.43 624
  44 6.75 68
  45 3.3 33
  47 30.51 305
  53 1.18 12
  55 29.18 292
  56 2.76 28
  57 14.73 147
  58 1.03 10
  59 3.16 32
  67 1.08 11
  69 1.19 12
  70 2.44 24
  71 20.23 202
  72 3.37 34
  75 99.99 999
  76 2.8 28
  82 1.51 15
  83 32.93 329
  84 2.07 21
  85 3.2 32
  99 1.81 18
  101 10.99 110
  129 47.01 470
  130 3.23 32
  145 30.57 306
  146 2.53 25
  171 6.14 61
//