MassBank Record: MSBNK-EPA-ENTACT_AGILENT000444
ACCESSION: MSBNK-EPA-ENTACT_AGILENT000444
RECORD_TITLE: Tris(2-hydroxyethyl) isocyanurate; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: Tris(2-hydroxyethyl) isocyanurate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H15N3O6
CH$EXACT_MASS: 261.0960852345
CH$SMILES: OCCN1C(=O)N(CCO)C(=O)N(CCO)C1=O
CH$IUPAC: InChI=1S/C9H15N3O6/c13-4-1-10-7(16)11(2-5-14)9(18)12(3-6-15)8(10)17/h13-15H,1-6H2
CH$LINK: CAS
839-90-7
CH$LINK: INCHIKEY
BPXVHIRIPLPOPT-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:13286
AC$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 260.0888087828
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-000f-9000000000-f7b5def8708fe41f37a4
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
41.998537 99.999995 999
42.022347 1.907957 19
80.982947 1.213321 12
86.024752 53.305279 532
86.061137 1.199769 11
//