ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009263
RECORD_TITLE: HEPTANAL ETHYL ISOPENTYL 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$NAME: HEPTANAL ETHYL ISOPENTYL ACETAL
CH$NAME: HEPTANAL ETHYL ISOAMYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₃₀O₂
CH$EXACT_MASS: 230.22458
CH$SMILES: CCCCCCC(OCC)OCCC(C)C
CH$IUPAC: InChI=1S/C14H30O2/c1-5-7-8-9-10-14(15-6-2)16-12-11-13(3)4/h13-14H,5-12H2,1-4H3
CH$LINK: INCHIKEY ZBRSUNZCGCABAB-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$SPLASH: splash10-00dl-9200000000-935412047c9dde0768c8
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 10.6 106
  28 2.2 22
  29 21.4 214
  31 0.38 4
  39 4.8 48
  41 22.5 225
  42 5.1 51
  43 6.82 68
  44 6 60
  45 2.3 23
  47 8.4 84
  53 0.12 1
  55 29.4 294
  56 2.2 22
  57 7.9 79
  58 0.1 1
  59 2 20
  69 5.6 56
  70 2.7 27
  71 99.99 999
  72 6.8 68
  75 14.1 141
  85 3.3 33
  97 1.14 11
  143 29.9 299
  144 2.6 26
  145 29.2 292
  146 0.21 2
  185 4.7 47
//