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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003393

DIBUTOXYETHOXYETHYL ADIPATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003393
RECORD_TITLE: DIBUTOXYETHOXYETHYL ADIPATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: DIBUTOXYETHOXYETHYL ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H42O8
CH$EXACT_MASS: 434.28797
CH$SMILES: CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC
CH$IUPAC: InChI=1S/C22H42O8/c1-3-5-11-25-13-15-27-17-19-29-21(23)9-7-8-10-22(24)30-20-18-28-16-14-26-12-6-4-2/h3-20H2,1-2H3
CH$LINK: INCHIKEY SCABKEBYDRTODC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3027085

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4j-9200000000-a57be660ec537332b733
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  44 14.5 145
  45 80.9 809
  46 2.2 22
  54 20 200
  55 38.1 381
  56 99.99 999
  57 5.8 58
  58 1.04 10
  59 3.1 31
  69 2 20
  71 7.1 71
  72 2.17 22
  73 13.2 132
  75 10.5 105
  83 6.7 67
  84 0.5 5
  85 17.8 178
  86 2.6 26
  87 10.9 109
  88 0.39 4
  89 16.7 167
  99 11.4 114
  100 19.9 199
  101 2.26 23
  111 12.7 127
  112 2.4 24
  113 2.7 27
  115 0.26 3
  129 5.5 55
  131 4 40
  143 3.3 33
  144 0.61 6
  145 11.9 119
  149 2.3 23
  155 11.7 117
  157 0.44 4
  159 2 20
  161 3.9 39
  163 8.8 88
  173 1.51 15
  174 2 20
  185 2 20
  187 2.8 28
  201 0.37 4
  217 16.7 167
  218 2.2 22
  250 0.2 2
  255 3.7 37
  261 8.7 87
  273 5.3 53
  317 8.2 82
  435 2 20
//

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