ACCESSION: MSBNK-EPA-ENTACT_AGILENT000296
RECORD_TITLE: Thiocyanic acid; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Thiocyanic acid
CH$NAME: DTXSID3029653
CH$NAME: Sulfocyanic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: CHNS
CH$EXACT_MASS: 58.9829697693
CH$SMILES: N#CS
CH$IUPAC: InChI=1S/CHNS/c2-1-3/h3H
CH$LINK: CAS 463-56-9
CH$LINK: INCHIKEY ZMZDMBWJUHKJPS-UHFFFAOYSA-N

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$FOCUSED_ION: PRECURSOR_M/Z 57.9756933176
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-9000000000-73a2164112e8fd33c81a
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
45.975693 1.986034 19
57.975693 99.999998 999
//