MassBank Record: MSBNK-EPA-ENTACT_AGILENT002414

1-N-Methyl-5-thiotetrazole; ESI-QTOF; MS2; CE: 20; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT002414
RECORD_TITLE: 1-N-Methyl-5-thiotetrazole; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: 1-N-Methyl-5-thiotetrazole
CH$NAME: DTXSID9051662
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂H₄N₄S
CH$EXACT_MASS: 116.0156668872
CH$SMILES: CN1NN=NC1=S
CH$IUPAC: InChI=1S/C2H4N4S/c1-6-2(7)3-4-5-6/h1H3,(H,3,5,7)
CH$LINK: CAS 13183-79-4
CH$LINK: INCHIKEY XOHZHMUQBFJTNH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2723772

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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

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MS$FOCUSED_ION: PRECURSOR_M/Z 115.0083904355
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-0006-9000000000-1dcb950a14610cccbfe7
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  42.009771 100.000005 999
  57.975693 7.025232 70
  71.978767 4.454838 44
//