ACCESSION: MSBNK-Keio_Univ-KO004007
RECORD_TITLE: Semicarbazide; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-004i-9000000000-998acfad87a1f68c7c0e
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  16.200 99010.0 29
  21.800 99010.0 29
  40.100 54455.5 16
  58.100 24752.5 7
  59.100 163366.5 48
  76.000 3371290.5 999
  85.400 59406.0 18
  132.800 24752.5 7
  146.600 24752.5 7
  156.900 14851.5 4
  162.600 14851.5 4
  438.600 14851.5 4
//