MassBank Record: MSBNK-Keio_Univ-KO003247
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
//