ACCESSION: MSBNK-EPA-ENTACT_AGILENT000355
RECORD_TITLE: SR125047; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0ab9-0090000000-e0a19eff51819b53a391
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  98.096426 3.269204 32
  179.085527 1.175627 11
  194.109002 1.265224 12
  207.080441 2.639317 26
  221.096091 7.247127 72
  222.103916 83.224071 831
  222.161919 2.79979 27
  222.185241 1.683248 16
  229.041469 10.371209 103
  229.077855 7.811535 78
  242.049294 5.950139 59
  257.072769 99.999998 999
  257.132477 4.789944 47
  257.154094 2.502003 24
  356.177569 6.78279 67
//