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MassBank Record: KO004011

Semicarbazide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: KO004011
RECORD_TITLE: Semicarbazide; LC-ESI-QQ; MS2; CE:50 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 S034

CH$NAME: Semicarbazide
CH$NAME: Carbamoylhydrazine
CH$NAME: Aminourea
CH$NAME: Hydrazinecarboxamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: CH5N3O
CH$EXACT_MASS: 75.04326
CH$SMILES: NC(=O)NN
CH$IUPAC: InChI=1S/CH5N3O/c2-1(5)4-3/h3H2,(H3,2,4,5)
CH$LINK: CAS 57-56-7
CH$LINK: KEGG C02077
CH$LINK: NIKKAJI J4.582I
CH$LINK: PUBCHEM SID:5163
CH$LINK: INCHIKEY DUIOPKIIICUYRZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7043823

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 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 76
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-004i-9200000000-07b4f3e7b8775ed5f08b
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  18.300 19802.0 148
  21.700 64356.5 481
  27.200 133663.5 999
  54.700 34653.5 259
  195.500 64356.5 481
  355.400 19802.0 148
  436.300 14851.5 111
//

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