ACCESSION: MSBNK-EPA-ENTACT_AGILENT000642
RECORD_TITLE: Mosapride citrate; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Mosapride citrate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₅ClFN₃O₃
CH$EXACT_MASS: 421.1568475966
CH$SMILES: CCOC1C=C(N)C(Cl)=CC=1C(=O)NCC1CN(CC2=CC=C(F)C=C2)CCO1
CH$IUPAC: InChI=1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27)
CH$LINK: CAS 112885-42-4
CH$LINK: INCHIKEY YPELFRMCRYSPKZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:119583

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$FOCUSED_ION: PRECURSOR_M/Z 422.1641240483
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-0900100000-c0e3deb887cadbfdd571
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  114.011646 1.496418 14
  135.067865 1.271599 12
  143.081504 1.145878 11
  170.001475 2.735291 27
  170.036718 1.194401 11
  198.031633 100 999
  198.08393 1.693028 16
  422.164124 19.544234 195
//