MassBank Record: MSBNK-Keio_Univ-KO003248
ACCESSION: MSBNK-Keio_Univ-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
//