ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009083
RECORD_TITLE: HEXANAL DIPENTYL 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$NAME: HEXANAL DIPENTYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₄O₂
CH$EXACT_MASS: 258.25588
CH$SMILES: CCCCCOC(CCCCC)OCCCCC
CH$IUPAC: InChI=1S/C16H34O2/c1-4-7-10-13-16(17-14-11-8-5-2)18-15-12-9-6-3/h16H,4-15H2,1-3H3
CH$LINK: INCHIKEY MXIMWAJQWMYBAJ-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$SPLASH: splash10-00dl-9200000000-ab031aa73eeb58d79349
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  27 7.74 77
  28 1.33 13
  29 21.94 219
  31 2.33 23
  39 4.04 40
  40 1.13 11
  41 23.75 238
  42 11.62 116
  43 78.89 789
  44 3.91 39
  45 1.22 12
  53 1.07 11
  55 19.43 194
  56 2.43 24
  57 4.94 49
  69 2.55 26
  70 3.12 31
  71 99.99 999
  72 4.35 44
  81 1.11 11
  83 27.82 278
  84 1.56 16
  99 2.1 21
  101 23.35 234
  102 1.56 16
  117 17.57 176
  171 33.89 339
  172 3.45 35
  187 22.53 225
  188 2.4 24
//