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MassBank Record: KO003250

Isonicotinic acid hydrazide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO003250
RECORD_TITLE: Isonicotinic acid hydrazide; LC-ESI-QQ; MS2; CE:40 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$LINK: KEGG C07054
CH$LINK: NIKKAJI J1.371D
CH$LINK: PUBCHEM SID:9266
CH$LINK: INCHIKEY QRXWMOHMRWLFEY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8020755

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 40 V

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

PK$SPLASH: splash10-004i-9100000000-371fd6d67c48f373e2e5
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  39.000 361386.5 25
  42.200 465347.0 33
  42.800 39604.0 3
  44.700 69307.0 5
  51.200 158416.0 11
  52.000 247525.0 17
  56.400 84158.5 6
  56.900 39604.0 3
  59.200 89109.0 6
  60.100 509901.5 36
  65.100 39604.0 3
  66.100 3693073.0 260
  66.900 217822.0 15
  69.800 24752.5 2
  75.800 64356.5 5
  76.800 44554.5 3
  78.000 2242576.5 158
  79.000 14173281.5 999
  80.000 470297.5 33
  82.300 94059.5 7
  91.100 212871.5 15
  92.000 143564.5 10
  93.100 1821784.0 128
  94.100 29703.0 2
  104.200 19802.0 1
  105.000 163366.5 12
  108.000 217822.0 15
  108.400 54455.5 4
  110.100 84158.5 6
  119.100 148515.0 10
  121.100 2183170.5 154
  136.700 44554.5 3
//

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