MassBank Record: MSBNK-Keio_Univ-KO003159

Hydroxyurea; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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ACCESSION: MSBNK-Keio_Univ-KO003159
RECORD_TITLE: Hydroxyurea; 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 H104

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CH$NAME: Hydroxyurea
CH$NAME: Hydroxycarbamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: CH₄N₂O₂
CH$EXACT_MASS: 76.02728
CH$SMILES: NC(=O)NO
CH$IUPAC: InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)
CH$LINK: CAS 127-07-1
CH$LINK: CHEBI 5816
CH$LINK: KEGG C07044
CH$LINK: NIKKAJI J2.937H
CH$LINK: PUBCHEM SID:9256
CH$LINK: INCHIKEY VSNHCAURESNICA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6025438

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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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

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MS$FOCUSED_ION: PRECURSOR_M/Z 77
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

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PK$SPLASH: splash10-03di-9000000000-f39d1396b2b03d5846c8
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  40.700 79208.0 39
  42.900 128713.0 63
  60.100 2049507.0 999
  76.800 24752.5 12
//