ACCESSION: MSBNK-EPA-ENTACT_AGILENT001362
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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 283.1441042853
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4j-3900000000-6ce528e72bb6a166512d
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  41.038577 7.437218 74
  42.033826 5.3365 53
  44.049476 14.230219 142
  56.049476 17.393671 173
  58.065126 2.979187 29
  68.049476 2.703255 27
  77.038577 17.300732 172
  79.054227 12.519797 125
  91.054227 15.959325 159
  93.057301 1.318526 13
  93.069877 2.340235 23
  94.065126 1.421594 14
  95.049141 6.706414 66
  103.054227 2.788453 27
  105.069877 1.976714 19
  107.049141 99.999998 999
  107.085527 3.222002 32
  115.054227 23.618053 235
  116.062052 2.129474 21
  117.069877 15.135242 151
  120.04439 3.206871 32
  121.052215 2.694941 26
  121.064791 4.660065 46
  122.06004 8.204641 81
  127.054227 12.777214 127
  131.049141 6.16909 61
  132.080776 1.111566 11
  133.052215 5.58222 55
  134.06004 2.785493 27
  144.056966 7.41624 74
  144.080776 2.157068 21
  145.064791 80.805661 807
  145.10973 2.250938 22
  145.13354 1.105391 11
  146.06004 4.173676 41
  147.067865 3.629339 36
  148.07569 3.031821 30
  153.069877 1.357446 13
  162.09134 2.258015 22
  165.069877 1.45552 14
  181.064791 2.118671 21
//