ACCESSION: MSBNK-EPA-ENTACT_AGILENT001007
RECORD_TITLE: SU-5416; ESI-QTOF; MS2; CE: 40; [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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 237.103336632
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9710000000-aeb059d9122f96903c52
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  41.998537 100.000005 999
  42.022347 2.061018 20
  42.034923 1.034795 10
  51.024024 1.066197 10
  65.998537 1.157114 11
  80.050573 2.493168 24
  94.066223 49.850086 498
  115.042748 1.114936 11
  116.050573 9.017423 90
  131.037662 24.70134 246
  132.045487 1.948673 19
  141.045822 6.392253 63
  144.045487 5.222905 52
  166.066223 1.584579 15
  168.081873 1.753648 17
  169.040736 1.396902 13
  191.061472 1.99319 19
  193.040736 1.724527 17
  193.077122 41.256803 412
  194.084947 25.593772 255
  204.069297 1.344911 13
  207.056386 1.306161 13
  207.092772 3.081551 30
  217.077122 1.036772 10
  218.084947 1.07977 10
  219.092772 1.495759 14
  220.064211 1.84152 18
  221.072037 8.061781 80
  222.079862 1.001951 10
//