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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009276

BENZALDEHYDE ETHYL 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-JP009276
RECORD_TITLE: BENZALDEHYDE 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$NAME: BENZALDEHYDE ETHYL ISOPENTYL ACETAL
CH$NAME: BENZALDEHYDE ETHYL ISOAMYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H22O2
CH$EXACT_MASS: 222.16198
CH$SMILES: CCOC(OCCC(C)C)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H22O2/c1-4-15-14(16-11-10-12(2)3)13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3
CH$LINK: INCHIKEY ZSTHUNZWLDCRMU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:101588403

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$SPLASH: splash10-052r-4900000000-378128eba21624d206d6
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  17 1 10
  27 5.1 51
  28 1.4 14
  29 1.15 12
  31 1 10
  39 3.4 34
  41 11 110
  42 0.11 1
  43 25.9 259
  47 1 10
  50 1.2 12
  51 0.48 5
  52 1.2 12
  55 2.9 29
  70 1.3 13
  71 2.11 21
  72 1.3 13
  75 1.3 13
  76 1 10
  77 2.04 20
  78 3.5 35
  79 30.3 303
  80 1.6 16
  89 0.13 1
  90 1.5 15
  91 2.9 29
  105 14.3 143
  106 0.21 2
  107 60.7 607
  108 4.8 48
  135 99.99 999
  136 1.09 11
  177 17.9 179
  178 2 20
//

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