ACCESSION: MSBNK-EPA-ENTACT_AGILENT001009
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

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$SPLASH: splash10-000l-6190000000-d49dd8fb2e2ce37ac46c
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  41.998537 71.053175 709
  42.022347 1.385329 13
  94.066223 7.466258 74
  116.050573 1.283643 12
  131.037662 8.190045 81
  144.045487 1.813677 18
  194.084947 6.472195 64
  209.108422 6.498918 64
  219.092772 2.415588 24
  221.072037 1.579567 15
  222.079862 5.27134 52
  237.103337 100.000002 999
//