MassBank Record: KO001056



 DL-Homocystine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001056
RECORD_TITLE: DL-Homocystine; 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 H041

CH$NAME: Homocystine CH$NAME: 4,4'-Dithiobis(2-aminobutyric acid) CH$NAME: DL-Homocystine CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H16N2O4S2 CH$EXACT_MASS: 268.05515 CH$SMILES: OC(=O)C(N)CCSSCCC(N)C(O)=O CH$IUPAC: InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14) CH$LINK: CAS 462-10-2 CH$LINK: CHEBI 17485 CH$LINK: KEGG C01817 CH$LINK: NIKKAJI J5.770C CH$LINK: PUBCHEM SID:4941
AC$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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 267 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-9000000000-560f6dc8247244af6cb4 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 33.200 39604.0 82 45.000 19802.0 41 59.200 128713.0 265 70.900 485149.0 999 71.900 336634.0 693 72.700 69307.0 143 78.900 173267.5 357 81.100 19802.0 41 115.200 19802.0 41 //