ACCESSION: MSBNK-Keio_Univ-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$LINK: KEGG C07054
CH$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 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.
  43.900 14851.5 1
  58.700 69307.0 1
  60.200 178218.0 2
  61.100 89109.0 1
  62.600 34653.5 1
  71.200 14851.5 1
  74.100 871288.0 9
  78.000 8450503.5 86
  79.200 39604.0 1
  79.800 29703.0 1
  83.100 84158.5 1
  84.000 84158.5 1
  85.000 59406.0 1
  86.600 247525.0 3
  88.100 202970.5 2
  89.100 306931.0 3
  92.800 64356.5 1
  102.900 212871.5 2
  105.200 94059.5 1
  106.100 10079218.0 102
  106.900 39604.0 1
  108.100 272277.5 3
  109.200 79208.0 1
  109.900 34653.5 1
  120.300 148515.0 2
  121.300 18123780.5 184
  129.900 19802.0 1
  137.100 158416.0 2
  138.200 98247623.0 999
  158.400 19802.0 1
  172.500 89109.0 1
//