MassBank Record: KO003247

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Isonicotinic acid hydrazide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003247
RECORD_TITLE: Isonicotinic acid hydrazide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID I066

CH$NAME: Isonicotinate hydrazide
CH$NAME: Isoniazid
CH$NAME: Isonicotinic acid hydrazide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H7N3O
CH$EXACT_MASS: 137.05891
CH$SMILES: NNC(=O)c(c1)ccnc1
CH$IUPAC: InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)
CH$LINK: CAS 54-85-3
CH$LINK: CHEBI 6030
CH$LINK: COMPTOX DTXSID8020755
CH$LINK: INCHIKEY QRXWMOHMRWLFEY-UHFFFAOYSA-N
CH$LINK: KEGG C07054
CH$LINK: NIKKAJI J1.371D
CH$LINK: PUBCHEM SID:9266

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE: MS2
AC$MASS_SPECTROMETRY: ION_MODE: POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 138
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-0900000000-afcf227eec118bec08a4
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  43.9 14851.5 1.0
  58.7 69307.0 1.0
  60.2 178218.0 2.0
  61.1 89109.0 1.0
  62.6 34653.5 1.0
  71.2 14851.5 1.0
  74.1 871288.0 9.0
  78.0 8450500.0 86.0
  79.2 39604.0 1.0
  79.8 29703.0 1.0
  83.1 84158.5 1.0
  84.0 84158.5 1.0
  85.0 59406.0 1.0
  86.6 247525.0 3.0
  88.1 202970.0 2.0
  89.1 306931.0 3.0
  92.8 64356.5 1.0
  102.9 212872.0 2.0
  105.2 94059.5 1.0
  106.1 1.00792E7 102.0
  106.9 39604.0 1.0
  108.1 272278.0 3.0
  109.2 79208.0 1.0
  109.9 34653.5 1.0
  120.3 148515.0 2.0
  121.3 1.81238E7 184.0
  129.9 19802.0 1.0
  137.1 158416.0 2.0
  138.2 9.82476E7 999.0
  158.4 19802.0 1.0
  172.5 89109.0 1.0
//