MassBank Record: JP003391

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OCTYL DECYL ADIPATE; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP003391
RECORD_TITLE: OCTYL DECYL 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$NAME: OCTYL DECYL ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C24H46O4
CH$EXACT_MASS: 398.33961
CH$SMILES: CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC
CH$IUPAC: InChI=1S/C24H46O4/c1-3-5-7-9-11-12-14-18-22-28-24(26)20-16-15-19-23(25)27-21-17-13-10-8-6-4-2/h3-22H2,1-2H3
CH$LINK: INCHIKEY NWSGBTCJMJADLE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5026839

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$SPLASH: splash10-004l-9740000000-64e15d5b605a6683ad48
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  43 33.7 337
  44 2 20
  54 26.5 265
  55 16.9 169
  56 29.3 293
  58 2.1 21
  60 2 20
  67 0.28 3
  68 3.2 32
  69 12.7 127
  70 12.2 122
  71 1.51 15
  73 2.8 28
  82 3.1 31
  83 10.9 109
  84 0.77 8
  85 4.9 49
  87 15.1 151
  97 3.2 32
  100 0.77 8
  101 13.3 133
  102 2.7 27
  111 17.7 177
  112 0.58 6
  128 2.3 23
  129 99.99 999
  130 5.6 56
  147 0.32 3
  185 2 20
  199 6.8 68
  212 4.3 43
  213 0.42 4
  227 3 30
  240 2.5 25
  241 37.8 378
  242 0.61 6
  243 1 10
  259 9.1 91
  269 19.3 193
  270 0.39 4
  287 5.1 51
//