MassBank Record: MSBNK-Keio_Univ-KO001976

Uracil; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

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ACCESSION: MSBNK-Keio_Univ-KO001976
RECORD_TITLE: Uracil; LC-ESI-QQ; MS2; CE:40 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 U004

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CH$NAME: Uracil
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₄N₂O₂
CH$EXACT_MASS: 112.02728
CH$SMILES: O=C(C=1)NC(=O)NC1
CH$IUPAC: InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
CH$LINK: CAS 66-22-8
CH$LINK: CHEBI 17568
CH$LINK: CHEMPDB URA
CH$LINK: KEGG C00106
CH$LINK: NIKKAJI J4.842I
CH$LINK: PUBCHEM SID:3406
CH$LINK: INCHIKEY ISAKRJDGNUQOIC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021424

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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 40 V

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MS$FOCUSED_ION: PRECURSOR_M/Z 111
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

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PK$SPLASH: splash10-0006-9000000000-7494d4e611a73ecb79ea
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  42.000 559406.5 999
  48.900 34653.5 62
//