MassBank Record: MSBNK-EPA-ENTACT_AGILENT001007
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
//
system version 2.2.8-SNAPSHOT