MassBank Record: MSBNK-EPA-ENTACT_AGILENT001500

1-(o-Tolyl)biguanide; ESI-QTOF; MS2; CE: 40; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT001500
RECORD_TITLE: 1-(o-Tolyl)biguanide; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: 1-(o-Tolyl)biguanide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₃N₅
CH$EXACT_MASS: 191.1170954517
CH$SMILES: CC1C=CC=CC=1NC(=N)NC(N)=N
CH$IUPAC: InChI=1S/C9H13N5/c1-6-4-2-3-5-7(6)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)
CH$LINK: CAS 93-69-6
CH$LINK: INCHIKEY SQZCAOHYQSOZCE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7155

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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 40

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MS$FOCUSED_ION: PRECURSOR_M/Z 190.109819
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-0006-9000000000-1a6d87d406170549dbd1
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  41.014522 99.999997 999
  41.039674 2.153011 21
  66.009771 9.719118 97
  83.03632 2.600739 25
  106.066223 7.2501 72
  131.061472 3.05325 30
//