ACCESSION: MSBNK-EPA-ENTACT_AGILENT002252
RECORD_TITLE: Propane-1,3-diyl bis(4-aminobenzoate); ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Propane-1,3-diyl bis(4-aminobenzoate)
CH$NAME: DTXSID3044960
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₈N₂O₄
CH$EXACT_MASS: 314.1266570782
CH$SMILES: NC1C=CC(=CC=1)C(=O)OCCCOC(=O)C1C=CC(N)=CC=1
CH$IUPAC: InChI=1S/C17H18N2O4/c18-14-6-2-12(3-7-14)16(20)22-10-1-11-23-17(21)13-4-8-15(19)9-5-13/h2-9H,1,10-11,18-19H2
CH$LINK: CAS 57609-64-0
CH$LINK: INCHIKEY YPACMOORZSDQDQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:93312

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$FOCUSED_ION: PRECURSOR_M/Z 315.1339335299
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00b9-0900000000-2df10b4950cd7532ad86
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  120.04439 78.936153 788
  120.089329 2.384254 23
  120.101905 1.055143 10
  178.086255 100.000002 999
  178.135217 2.8515 28
//