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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009278

BENZALDEHYDE BUTYL ISOPENTYL ACETAL; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009278
RECORD_TITLE: BENZALDEHYDE BUTYL 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$NAME: BENZALDEHYDE BUTYL ISOPENTYL ACETAL
CH$NAME: BENZALDEHYDE BUTYL ISOAMYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H26O2
CH$EXACT_MASS: 250.19328
CH$SMILES: CCCCOC(OCCC(C)C)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H26O2/c1-4-5-12-17-16(18-13-11-14(2)3)15-9-7-6-8-10-15/h6-10,14,16H,4-5,11-13H2,1-3H3
CH$LINK: INCHIKEY BRHOZUMENSVNBY-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$SPLASH: splash10-0a6r-4900000000-32744fc2397a89ff203c
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  27 8.3 83
  28 1.5 15
  29 18.4 184
  31 0.1 1
  39 5.3 53
  41 22.5 225
  42 2.2 22
  43 3.64 36
  44 1.5 15
  51 3.7 37
  53 1.1 11
  55 0.72 7
  56 1.8 18
  57 11.2 112
  70 1.2 12
  71 3.01 30
  72 1.4 14
  77 13.6 136
  78 3.1 31
  79 2.12 21
  80 1.2 12
  89 1.2 12
  90 1.6 16
  91 0.33 3
  105 15.6 156
  106 4.4 44
  107 99.99 999
  108 0.92 9
  163 54.4 544
  164 7.8 78
  177 35.9 359
  178 5 50
//

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