ACCESSION: MSBNK-EPA-ENTACT_AGILENT000060
RECORD_TITLE: SR58611; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: SR58611
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₂₆ClNO₄
CH$EXACT_MASS: 403.155036036
CH$SMILES: CCOC(=O)COC1C=CC2CCC(CC=2C=1)NCC(O)C1C=CC=C(Cl)C=1
CH$IUPAC: InChI=1S/C22H26ClNO4/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3
CH$LINK: CAS 929601-09-2
CH$LINK: INCHIKEY RDJQCOBTKKAQAH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:21935081

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$FOCUSED_ION: PRECURSOR_M/Z 404.1623124877
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0udi-0000900000-20d51ffd3102dc859fd6
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  233.117221 4.366459 43
  386.151748 6.818369 68
  404.162312 99.999996 999
//