ACCESSION: MSBNK-EPA-ENTACT_AGILENT001008
RECORD_TITLE: SU-5416; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: SU-5416
CH$NAME: DTXSID1041132
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₄N₂O
CH$EXACT_MASS: 238.1106130837
CH$SMILES: CC1C=C(C)NC=1/C=C1\C(=O)NC2=CC=CC=C2\1
CH$IUPAC: InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
CH$LINK: CAS 204005-46-9
CH$LINK: INCHIKEY WUWDLXZGHZSWQZ-WQLSENKSSA-N
CH$LINK: PUBCHEM CID:123015

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$FOCUSED_ION: PRECURSOR_M/Z 239.1178895354
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00dr-0290000000-baba83f3152fdfa9f535
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  94.065126 11.659596 116
  107.072951 15.640351 156
  122.06004 2.9499 29
  130.065126 5.04713 50
  132.04439 1.599204 15
  158.06004 13.038632 130
  180.080776 2.786115 27
  182.06004 1.21984 12
  182.096426 1.125441 11
  194.096426 7.197493 71
  195.091675 2.604468 26
  196.0995 13.113619 131
  198.09134 3.164464 31
  204.080776 11.575147 115
  206.08385 8.380383 83
  207.091675 3.750992 37
  211.122975 13.84954 138
  221.107325 10.071972 100
  222.09134 13.474744 134
  223.086589 9.225043 92
  224.094414 79.98021 799
  238.110065 1.893115 18
  239.11789 100.000001 999
//