MassBank Record: KO002732



 Desthiobiotin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002732
RECORD_TITLE: Desthiobiotin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID D075

CH$NAME: Desthiobiotin CH$NAME: Dethiobiotin CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H18N2O3 CH$EXACT_MASS: 214.13174 CH$SMILES: OC(=O)CCCCCC(N1)C(C)NC(=O)1 CH$IUPAC: InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1 CH$LINK: CAS 533-48-2 CH$LINK: CHEBI 16691 CH$LINK: KEGG C01909 CH$LINK: NIKKAJI J9.406D CH$LINK: PUBCHEM SID:5017
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 215 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004i-9200000000-03c3baa9836a6b78a20b PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 58.200 94059.5 1 59.300 331683.5 5 63.200 54455.5 1 70.800 29703.0 1 76.200 65034718.5 999 80.800 29703.0 1 88.800 14851.5 1 94.700 24752.5 1 98.700 69307.0 1 99.500 24752.5 1 105.100 623763.0 10 109.100 74257.5 1 114.200 24752.5 1 118.700 19802.0 1 120.800 24752.5 1 123.100 801981.0 12 124.300 19802.0 1 132.600 24752.5 1 136.400 49505.0 1 137.200 89109.0 1 138.400 24752.5 1 140.000 415842.0 6 144.500 44554.5 1 150.300 14851.5 1 151.000 74257.5 1 170.100 19802.0 1 176.900 14851.5 1 179.400 316832.0 5 197.200 2876240.5 44 198.500 9574267.0 147 215.400 722773.0 11 //