MassBank Record: MSBNK-EPA-ENTACT_AGILENT001363
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001363
RECORD_TITLE: N,N'-Disalicylidene-1,2-diaminopropane; ESI-QTOF; MS2; CE: 10; [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$MASS_SPECTROMETRY: COLLISION_ENERGY 10
MS$FOCUSED_ION: PRECURSOR_M/Z 281.1295513819
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-00fr-0910000000-07f7903ff5f56ea3ae90
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
93.034588 1.306364 13
118.029837 2.535905 25
120.045487 100.000003 999
120.081873 1.76835 17
134.061137 9.486073 94
148.076788 3.054832 30
160.076788 6.964932 69
173.072037 1.467207 14
175.087687 55.396029 553
264.103002 1.467413 14
281.129551 20.297662 202
//
system version 2.2.8-SNAPSHOT