MassBank Record: MSBNK-EPA-ENTACT_AGILENT001361
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001361
RECORD_TITLE: N,N'-Disalicylidene-1,2-diaminopropane; ESI-QTOF; MS2; CE: 40; [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$MASS_SPECTROMETRY: COLLISION_ENERGY 40
MS$FOCUSED_ION: PRECURSOR_M/Z 281.1295513819
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-05mo-5900000000-3ddb4d3811db9e75a8f0
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
41.998537 1.197908 11
42.034923 4.72082 47
54.034923 1.459257 14
65.039674 1.820146 18
69.045822 1.50981 15
90.034923 1.292935 12
93.034588 99.999999 999
93.070974 1.385187 13
106.042413 35.259777 352
107.037662 1.314573 13
107.050238 20.328268 203
118.029837 88.371569 882
118.066223 1.214756 12
119.050238 1.068357 10
120.045487 36.286554 362
134.037328 1.02188 10
134.061137 11.207172 111
148.076788 1.084568 10
//
system version 2.2.8-SNAPSHOT