ACCESSION: MSBNK-EPA-ENTACT_AGILENT001896
RECORD_TITLE: Bis(2-butoxyethyl) decanedioate; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Bis(2-butoxyethyl) decanedioate
CH$NAME: DTXSID6044802
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₄₂O₆
CH$EXACT_MASS: 402.2981390736
CH$SMILES: CCCCOCCOC(=O)CCCCCCCCC(=O)OCCOCCCC
CH$IUPAC: InChI=1S/C22H42O6/c1-3-5-15-25-17-19-27-21(23)13-11-9-7-8-10-12-14-22(24)28-20-18-26-16-6-4-2/h3-20H2,1-2H3
CH$LINK: CAS 141-19-5
CH$LINK: INCHIKEY KZBSIGKPGIZQJQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:67329

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 403.3054155253
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0aov-9110000000-ece77c26dba18c388cd5
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  41.038577 39.285261 392
  43.017841 16.532937 165
  43.054227 22.11843 220
  45.033491 33.497989 334
  46.041316 3.700335 36
  53.038577 2.936225 29
  55.017841 31.054046 310
  55.038971 1.279561 12
  55.054227 77.895613 778
  57.033491 7.789421 77
  57.069877 47.582683 475
  57.184906 1.96383 19
  58.077702 1.440228 14
  59.049141 4.035912 40
  67.054227 26.641656 266
  69.069877 72.094311 720
  71.012756 2.273718 22
  71.049141 7.665916 76
  73.028406 30.170842 301
  73.064791 2.371316 23
  77.038577 1.219539 12
  79.054227 45.942448 458
  81.069877 59.182612 591
  81.091006 5.504421 54
  83.049141 11.708085 116
  83.085527 11.133245 111
  83.106656 1.217806 12
  85.064791 2.478639 24
  87.044056 1.43771 14
  91.054227 14.918716 149
  93.069877 45.256598 452
  93.112135 1.381355 13
  95.049141 1.866956 18
  95.085527 29.641437 296
  97.064791 13.623496 136
  97.101177 16.841368 168
  99.044056 100.000004 999
  99.080441 1.42027 14
  105.069877 10.230013 102
  107.085527 4.838986 48
  109.064791 3.469666 34
  109.101177 2.253576 22
  111.116827 4.348504 43
  113.059706 4.269923 42
  115.038971 3.272358 32
  121.064791 4.199588 41
  121.101177 44.523049 444
  123.080441 4.107039 41
  123.116827 6.195778 61
  127.075356 4.235235 42
  131.085527 6.596354 65
  139.111742 12.056709 120
  149.096091 1.685661 16
  151.111742 1.374288 13
  155.106656 1.173102 11
  163.075356 1.986028 19
  165.127392 2.707291 27
  167.106656 1.619799 16
  171.137956 2.342105 23
  185.117221 3.031345 30
  193.122306 2.346913 23
  211.132871 55.667584 556
  213.069877 1.920682 19
  213.148521 30.696307 306
  229.143436 33.765421 337
//