ACCESSION: MSBNK-EPA-ENTACT_AGILENT001010
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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

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$SPLASH: splash10-05fs-1950000000-d610324e777b1eea70c7
PK$NUM_PEAK: 95
PK$PEAK: m/z int. rel.int.
  41.038577 1.610679 16
  42.033826 3.462651 34
  45.033491 1.0562 10
  51.022927 1.318554 13
  53.038577 1.260271 12
  65.038577 2.207984 22
  66.046402 1.103813 11
  67.054227 3.457024 34
  77.038577 7.951545 79
  78.033826 4.184019 41
  79.041651 2.582042 25
  79.054227 1.658782 16
  80.049476 10.019314 100
  81.057301 6.387349 63
  89.038577 1.133514 11
  90.046402 1.208658 12
  91.054227 2.570389 25
  92.049476 2.648985 26
  93.057301 1.532021 15
  94.065126 14.944055 149
  95.072951 2.08409 20
  101.038577 1.719899 17
  103.054227 7.808416 78
  104.049476 3.313709 33
  106.065126 13.782053 137
  107.072951 22.012185 219
  108.04439 1.546746 15
  115.054227 5.129639 51
  116.049476 3.148494 31
  117.057301 5.689012 56
  118.065126 1.209039 12
  120.080776 1.474859 14
  122.06004 1.351141 13
  127.054227 3.101995 30
  128.049476 6.245399 62
  128.062052 3.845024 38
  129.057301 3.035331 30
  130.065126 29.382488 293
  132.04439 5.732165 57
  142.065126 1.390085 13
  143.072951 1.168151 11
  144.04439 2.295887 22
  144.080776 1.059038 10
  151.054227 4.59291 45
  152.062052 6.155998 61
  153.069877 1.644406 16
  154.065126 16.405886 163
  155.072951 5.360943 53
  156.080776 1.101765 11
  158.06004 3.510459 35
  165.057301 1.579245 15
  165.069877 4.640627 46
  166.065126 2.843756 28
  167.072951 15.050299 150
  168.080776 14.923424 149
  169.088601 1.604264 16
  170.096426 1.299418 12
  171.055289 1.21303 12
  176.062052 3.875512 38
  177.069877 4.086321 40
  178.065126 5.521371 55
  179.072951 10.054082 100
  180.080776 15.420218 154
  181.076025 7.952684 79
  181.088601 7.984185 79
  182.06004 2.254567 22
  182.096426 9.973893 99
  183.067865 2.686309 26
  184.112076 1.650956 16
  192.080776 2.014071 20
  193.088601 5.474472 54
  194.096426 7.736473 77
  195.091675 85.23992 851
  196.07569 2.370068 23
  196.0995 30.930276 308
  197.070939 2.595976 25
  203.072951 7.028807 70
  204.080776 11.086605 110
  205.076025 33.610329 335
  206.06004 1.960437 19
  206.08385 24.224084 241
  207.067865 1.186501 11
  207.091675 22.576099 225
  208.063114 5.113581 51
  209.070939 4.721124 47
  209.107325 2.995695 29
  210.11515 1.879404 18
  219.091675 3.196999 31
  220.0995 1.868704 18
  221.107325 1.013868 10
  222.078764 1.472389 14
  222.09134 1.010019 10
  223.086589 100 999
  224.094414 20.016112 199
  237.102239 2.466488 24
//