MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009267

HEPTANAL DIISOPENTYL ACETAL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009267
RECORD_TITLE: HEPTANAL DIISOPENTYL 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

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CH$NAME: HEPTANAL DIISOPENTYL ACETAL
CH$NAME: HEPTANAL DIISOAMYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₆O₂
CH$EXACT_MASS: 272.27153
CH$SMILES: CCCCCCC(OCCC(C)C)OCCC(C)C
CH$IUPAC: InChI=1S/C17H36O2/c1-6-7-8-9-10-17(18-13-11-15(2)3)19-14-12-16(4)5/h15-17H,6-14H2,1-5H3
CH$LINK: INCHIKEY FCNZGZQLIKHVGP-UHFFFAOYSA-N

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-00dl-9000000000-406855ea92733611c414
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 4.8 48
  29 8.9 89
  31 1 10
  39 0.26 3
  41 13.2 132
  42 3.8 38
  43 56.2 562
  44 0.24 2
  55 11.7 117
  56 1.4 14
  57 2.6 26
  69 0.26 3
  70 4.2 42
  71 99.99 999
  72 5.3 53
  97 0.16 2
  117 2.3 23
  185 14.2 142
  186 1.6 16
  187 1.28 13
  188 1.2 12
//