ACCESSION: MSBNK-EPA-ENTACT_AGILENT002255
RECORD_TITLE: Propane-1,3-diyl bis(4-aminobenzoate); ESI-QTOF; MS2; CE: 40; [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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 313.1193806265
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9200000000-357b41d9c60c3fffa268
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  91.042748 14.315891 143
  92.050573 99.999996 999
  92.084278 1.021934 10
  135.032577 1.366539 13
  136.040402 30.758035 307
//