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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003388

DI(2-ETHYL HEXYL) ADIPATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003388
RECORD_TITLE: DI(2-ETHYL HEXYL) 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$NAME: DI(2-ETHYL HEXYL) ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H42O4
CH$EXACT_MASS: 370.30831
CH$SMILES: CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
CH$IUPAC: InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3
CH$LINK: INCHIKEY SAOKZLXYCUGLFA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0020606

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$SPLASH: splash10-0adi-8920000000-303185c662d6b7d184b4
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  53 2.2 22
  54 28.1 281
  55 16 160
  56 61.8 618
  57 3.2 32
  58 3 30
  67 2.1 21
  69 0.95 10
  70 33 330
  71 26.4 264
  82 3.6 36
  83 1.63 16
  84 9.4 94
  87 6.3 63
  100 5.4 54
  101 0.91 9
  102 2.6 26
  111 11.9 119
  112 41.6 416
  113 1.64 16
  128 4.2 42
  129 99.99 999
  130 6.4 64
  142 0.4 4
  143 2.1 21
  146 2.8 28
  147 30 300
  185 0.63 6
  199 2.8 28
  212 2.2 22
  241 17.8 178
  242 0.32 3
  258 2.3 23
  259 29 290
  260 5.6 56
  370 0.56 6
  371 6.3 63
//

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