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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001744

DODECANEDIOIC ACID DIHEXYL ESTER; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001744
RECORD_TITLE: DODECANEDIOIC ACID DIHEXYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: DODECANEDIOIC ACID DIHEXYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C24H46O4
CH$EXACT_MASS: 398.33961
CH$SMILES: CCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCC
CH$IUPAC: InChI=1S/C24H46O4/c1-3-5-7-17-21-27-23(25)19-15-13-11-9-10-12-14-16-20-24(26)28-22-18-8-6-4-2/h3-22H2,1-2H3
CH$LINK: INCHIKEY SPTBNOJZNIWTFY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90604455

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-01ot-8980000000-c3adafb27edbb1927405
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  42 15.58 156
  43 17 170
  44 14.92 149
  56 33.36 334
  57 20.23 202
  69 17.94 179
  71 14.05 141
  83 18.98 190
  84 48.63 486
  85 18.5 185
  97 15.36 154
  98 58.4 584
  101 9.66 97
  111 17.44 174
  112 23.76 238
  115 14.4 144
  125 17.36 174
  129 39.11 391
  138 9.38 94
  139 11.55 116
  141 0.22 2
  143 22.58 226
  152 6.31 63
  153 19.86 199
  157 18.79 188
  166 13.05 131
  171 20.28 203
  185 70.9 709
  186 5.91 59
  199 0.35 4
  207 1.36 14
  213 99.99 999
  214 11.37 114
  227 5.55 56
  241 10.13 101
  255 26.11 261
  256 4.47 45
  269 34.91 349
  270 8.25 83
  281 2.61 26
  297 90.74 907
  298 14.72 147
//

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