MassBank Record: MSBNK-EPA-ENTACT_AGILENT002257
ACCESSION: MSBNK-EPA-ENTACT_AGILENT002257
RECORD_TITLE: Propane-1,3-diyl bis(4-aminobenzoate); ESI-QTOF; MS2; CE: 20; [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 20
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: splash10-00di-0900000000-359b39d43e784bd32cbd
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
92.049476 1.647064 16
120.04439 99.999997 999
120.080776 4.431201 44
120.101905 2.248141 22
178.086255 44.255438 442
178.135217 1.13477 11
//