MassBank Record: MSBNK-EPA-ENTACT_AGILENT001366
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001366
RECORD_TITLE: N,N'-Disalicylidene-1,2-diaminopropane; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: N,N'-Disalicylidene-1,2-diaminopropane
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H18N2O2
CH$EXACT_MASS: 282.1368278336
CH$SMILES: CC(C/N=C/C1=CC=CC=C1O)/N=C/C1=CC=CC=C1O
CH$IUPAC: InChI=1S/C17H18N2O2/c1-13(19-12-15-7-3-5-9-17(15)21)10-18-11-14-6-2-4-8-16(14)20/h2-9,11-13,20-21H,10H2,1H3/b18-11+,19-12+
CH$LINK: CAS
94-91-7
CH$LINK: INCHIKEY
RURPJGZXBHYNEM-GDAWTGGTSA-N
CH$LINK: PUBCHEM
CID:5359281
AC$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$MASS_SPECTROMETRY: COLLISION_ENERGY 20
MS$FOCUSED_ION: PRECURSOR_M/Z 281.1295513819
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-00di-0900000000-26d81d466f4b0ee64ed5
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
54.034923 1.06153 10
93.034588 6.385459 63
106.042413 1.725982 17
107.050238 3.516979 35
118.029837 14.383417 143
120.045487 99.999998 999
120.090426 1.792085 17
134.061137 31.597885 315
148.076788 6.84391 68
160.076788 1.997858 19
175.087687 13.268236 132
//
system version 2.2.8-SNAPSHOT