ACCESSION: MSBNK-EPA-ENTACT_AGILENT001004
RECORD_TITLE: Bismaleimide; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-000i-0900000000-c02158d899e70c211ad7
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  79.017841 1.312526 13
  102.09134 1.169828 11
  109.101177 1.341924 13
  158.06004 3.908487 39
  186.054955 99.999997 999
  186.103916 1.329128 13
//