ACCESSION: MSBNK-EPA-ENTACT_AGILENT000356
RECORD_TITLE: SR125047; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: SR125047
CH$NAME: DTXSID3047342
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₂₆ClNO
CH$EXACT_MASS: 355.1702921691
CH$SMILES: COC1C=C(C=CC=1)C1=CC=C(/C=C/CN2CCCCCC2)C=C1Cl
CH$IUPAC: InChI=1S/C22H26ClNO/c1-25-20-10-6-9-19(17-20)21-12-11-18(16-22(21)23)8-7-15-24-13-4-2-3-5-14-24/h6-12,16-17H,2-5,13-15H2,1H3/b8-7+
CH$LINK: INCHIKEY ZDPINFKDQWCRTF-BQYQJAHWSA-N
CH$LINK: PUBCHEM CID:60196403

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$FOCUSED_ION: PRECURSOR_M/Z 356.1775686208
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-05fr-0390000000-b68be6373e1e51b2afea
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  98.096426 2.112868 21
  165.069877 2.77373 27
  166.077702 1.163537 11
  178.077702 10.141429 101
  179.085527 27.78178 277
  186.023079 1.41854 14
  189.069877 2.651878 26
  190.077702 4.828302 48
  191.085527 10.431868 104
  192.093352 3.568772 35
  193.101177 3.696402 36
  194.072616 3.183083 31
  194.109002 4.399765 43
  199.030904 6.486397 64
  201.046554 1.950761 19
  203.085527 1.342314 13
  205.064791 1.393303 13
  206.072616 5.693012 56
  207.080441 65.548493 654
  207.138443 1.826478 18
  214.017994 1.746873 17
  221.096091 20.091639 200
  222.103916 100.000002 999
  222.161919 3.049915 30
  222.185241 1.783053 17
  225.046554 1.98617 19
  226.054379 1.203723 12
  227.025819 3.265031 32
  229.041469 11.790713 117
  229.077855 1.511191 15
  242.049294 11.124812 111
  257.072769 1.212983 12
//