MassBank Record: KO003875

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Picolinamide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO003875
RECORD_TITLE: Picolinamide; 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 P099

CH$NAME: Picolinamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H6N2O
CH$EXACT_MASS: 122.04801
CH$SMILES: NC(=O)c(c1)nccc1
CH$IUPAC: InChI=1S/C6H6N2O/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9)
CH$LINK: CAS 1452-77-3
CH$LINK: CHEBI 8200
CH$LINK: COMPTOX DTXSID4061703
CH$LINK: INCHIKEY IBBMAWULFFBRKK-UHFFFAOYSA-N
CH$LINK: KEGG C01950
CH$LINK: NIKKAJI J27.993E
CH$LINK: PUBCHEM SID:5053

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 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 123
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-004i-9000000000-c8d4c79a355bc8412e48
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  51.1 623763.0 4.0
  68.0 79208.0 1.0
  74.0 29703.0 1.0
  78.1 1.39995008E8 999.0
  80.2 633664.0 5.0
  96.0 2.34654E7 167.0
  97.7 24752.5 1.0
  105.5 356436.0 3.0
  106.1 3752480.0 27.0
  123.3 267327.0 2.0
  124.0 623763.0 4.0
//