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MassBank Record: KO003248

Isonicotinic acid hydrazide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO003248
RECORD_TITLE: Isonicotinic acid hydrazide; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-00di-1900000000-d63af1f463124dbf7b65
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  38.800 9901.0 1
  42.800 24752.5 1
  45.200 74257.5 1
  58.000 89109.0 1
  59.000 678218.5 11
  60.100 1990101.0 31
  60.900 108911.0 2
  62.800 24752.5 1
  64.000 29703.0 1
  66.000 272277.5 4
  66.800 29703.0 1
  68.200 34653.5 1
  69.700 198020.0 3
  71.000 19802.0 1
  74.100 490099.5 8
  77.400 54455.5 1
  77.800 1351486.5 21
  79.000 1930695.0 30
  80.100 118812.0 2
  84.400 44554.5 1
  88.100 683169.0 11
  88.900 232673.5 4
  91.300 19802.0 1
  93.000 2455448.0 38
  93.900 89109.0 1
  95.300 39604.0 1
  103.100 183168.5 3
  105.200 49505.0 1
  106.100 965347.5 15
  107.200 589109.5 9
  108.100 59406.0 1
  109.400 752476.0 12
  110.200 222772.5 3
  119.000 242574.5 4
  121.000 64490163.5 999
  137.100 79208.0 1
  138.200 11495061.0 178
//

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