ACCESSION: MSBNK-EPA-ENTACT_AGILENT000977
RECORD_TITLE: Zamifenacin; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-014i-0900000000-92072fc4f926300a2980
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  91.054227 8.754488 87
  119.049141 11.711306 116
  119.085527 1.559738 15
  149.059706 24.605305 245
  152.062052 5.248802 52
  165.069877 6.973874 69
  166.077702 2.242081 22
  167.085527 99.999997 999
  167.130466 4.020349 40
//