MassBank Record: MSBNK-EPA-ENTACT_AGILENT001720
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001720
RECORD_TITLE: Cyanoguanidine; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: Cyanoguanidine
CH$NAME: DTXSID1020354
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2H4N4
CH$EXACT_MASS: 84.0435961572
CH$SMILES: NC(=N)NC#N
CH$IUPAC: InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)
CH$LINK: CAS
461-58-5
CH$LINK: INCHIKEY
QGBSISYHAICWAH-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:10005
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 20
MS$FOCUSED_ION: PRECURSOR_M/Z 83.0363197055
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-0006-9000000000-89ce93b87d98f4e468a9
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
41.014522 100 999
66.009771 43.49768 434
//