ACCESSION: MSBNK-Keio_Univ-KO001253
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 136
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-004i-9000000000-263a0bcadf2e21536983
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  42.200 2400992.5 445
  57.000 1806932.5 335
  58.900 44554.5 8
  78.200 5386144.0 999
  92.200 386139.0 72
  92.600 64356.5 12
  93.300 14851.5 3
  107.800 34653.5 6
  136.000 292079.5 54
//