ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008650
RECORD_TITLE: HEXANAL ETHYL HEXYL 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$NAME: HEXANAL ETHYL HEXYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₃₀O₂
CH$EXACT_MASS: 230.22458
CH$SMILES: CCCCCCOC(OCC)CCCCC
CH$IUPAC: InChI=1S/C14H30O2/c1-4-7-9-11-13-16-14(15-6-3)12-10-8-5-2/h14H,4-13H2,1-3H3
CH$LINK: INCHIKEY DQPCKTBYQXJOFX-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$SPLASH: splash10-004l-9100000000-c8b2afb69f5145e80c63
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  27 18.91 189
  29 30.55 306
  31 9.14 91
  39 7.88 79
  41 36.56 366
  42 11.55 116
  43 92.4 924
  44 7 70
  45 3.94 39
  47 24.95 250
  53 1.76 18
  54 1.02 10
  55 32.36 324
  56 14 140
  57 37.77 378
  58 2.39 24
  59 3.21 32
  67 2.19 22
  69 2.76 28
  71 3.88 39
  72 2.8 28
  75 99.99 999
  76 2.84 28
  81 1.05 11
  82 5.19 52
  83 31.8 318
  84 2.76 28
  85 25.4 254
  86 1.53 15
  99 1.64 16
  100 1.3 13
  101 9.91 99
  128 1.71 17
  129 47.28 473
  130 3.49 35
  159 22.29 223
  160 1.97 20
  184 1.2 12
  185 4.44 44
//