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MassBank Record: KO003249

Isonicotinic acid hydrazide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO003249
RECORD_TITLE: Isonicotinic acid hydrazide; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-00fr-9600000000-1d50dedb0eea7ff8dccb
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  39.000 103960.5 5
  42.300 202970.5 9
  45.100 74257.5 3
  50.900 64356.5 3
  52.000 79208.0 4
  53.900 29703.0 1
  56.400 163366.5 7
  57.200 74257.5 3
  59.200 227723.0 10
  60.200 1569308.5 70
  60.600 49505.0 2
  65.900 4292083.5 191
  66.500 227723.0 10
  67.400 39604.0 2
  68.300 34653.5 2
  70.100 207921.0 9
  72.400 39604.0 2
  74.200 217822.0 10
  76.200 39604.0 2
  76.800 34653.5 2
  77.900 5564362.0 247
  79.000 12103972.5 538
  80.000 410891.5 18
  82.400 49505.0 2
  88.300 103960.5 5
  91.400 128713.0 6
  93.100 7826740.5 348
  94.200 222772.5 10
  96.400 59406.0 3
  103.800 44554.5 2
  104.900 133663.5 6
  105.300 153465.5 7
  107.000 118812.0 5
  108.200 430693.5 19
  109.400 450495.5 20
  110.300 301980.5 13
  119.200 480198.5 21
  121.000 22470319.5 999
  137.000 193069.5 9
  138.100 301980.5 13
//

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