ACCESSION: MSBNK-EPA-ENTACT_AGILENT001003
RECORD_TITLE: Bismaleimide; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Bismaleimide
CH$NAME: DTXSID8044381
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₁₄N₂O₄
CH$EXACT_MASS: 358.0953569506
CH$SMILES: O=C1C=CC(=O)N1C1C=CC(CC2C=CC(=CC=2)N2C(=O)C=CC2=O)=CC=1
CH$IUPAC: InChI=1S/C21H14N2O4/c24-18-9-10-19(25)22(18)16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-20(26)11-12-21(23)27/h1-12H,13H2
CH$LINK: CAS 13676-54-5
CH$LINK: INCHIKEY XQUPVDVFXZDTLT-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:83648

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$FOCUSED_ION: PRECURSOR_M/Z 359.1026334023
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4r-0900000000-762899325fbdfa03cf1c
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  77.038577 3.258731 32
  78.033826 1.149327 11
  80.01309 2.097966 20
  103.054227 11.016287 110
  106.065126 10.271332 102
  107.049141 6.34839 63
  115.054227 21.705599 216
  129.069877 4.455061 44
  130.065126 4.112497 41
  131.049141 5.891454 58
  132.04439 6.827212 68
  158.044784 1.148622 11
  158.06004 95.622767 955
  158.104979 1.467048 14
  186.054955 100.000001 999
  186.103916 1.33964 13
//