ACCESSION: MSBNK-EPA-ENTACT_AGILENT000976
RECORD_TITLE: Zamifenacin; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Zamifenacin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₇H₂₉NO₃
CH$EXACT_MASS: 415.2147437994
CH$SMILES: C1C(CCCN1CCC1C=C2OCOC2=CC=1)OC(C1C=CC=CC=1)C1C=CC=CC=1
CH$IUPAC: InChI=1S/C27H29NO3/c1-3-8-22(9-4-1)27(23-10-5-2-6-11-23)31-24-12-7-16-28(19-24)17-15-21-13-14-25-26(18-21)30-20-29-25/h1-6,8-11,13-14,18,24,27H,7,12,15-17,19-20H2
CH$LINK: CAS 127308-82-1
CH$LINK: INCHIKEY BDNFQGRSKSQXRI-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:3086618

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$FOCUSED_ION: PRECURSOR_M/Z 416.2220202511
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014i-0900300000-60d2e37d7c6a0abb2a9e
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  119.085527 1.643333 16
  120.093352 1.009296 10
  149.059706 14.903074 148
  167.085527 100.000001 999
  167.130466 3.679283 36
  280.169591 1.104446 11
  416.22202 51.867063 518
//