ACCESSION: MSBNK-EPA-ENTACT_AGILENT000357
RECORD_TITLE: SR125047; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-0a4i-0059000000-4e84a008303953298be2
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  98.096426 1.540195 15
  221.096091 1.085881 10
  222.103916 9.471328 94
  229.041469 1.37369 13
  229.077855 1.229547 12
  257.072769 48.923105 488
  257.132477 1.860588 18
  356.177569 100.000002 999
//