MassBank Record: KO003251

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Isonicotinic acid hydrazide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: KO003251
RECORD_TITLE: Isonicotinic acid hydrazide; LC-ESI-QQ; MS2; CE:50 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: 137.058909999999997353370417840778827667236328125
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 50 V

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

PK$SPLASH: splash10-004i-9000000000-dee0012ebd004444b3d8
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  39.200 301980.5 44
  41.300 24752.5 4
  42.300 188119.0 27
  51.300 183168.5 26
  51.900 648515.5 93
  60.300 118812.0 17
  63.900 59406.0 9
  66.000 1004951.5 145
  66.900 113861.5 16
  69.000 19802.0 3
  76.100 39604.0 6
  77.900 381188.5 55
  79.100 6930700.0 999
  80.000 277228.0 40
  91.700 74257.5 11
  93.100 168317.0 24
  104.700 64356.5 9
  121.200 84158.5 12
//