MassBank Record: KO001055



 DL-Homocystine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001055
RECORD_TITLE: DL-Homocystine; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 267 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-9210000000-903e4d0b7abc5500ebf1 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 59.100 321782.5 555 71.000 400990.5 692 72.200 579208.5 999 72.500 69307.0 120 79.000 143564.5 248 88.200 247525.0 427 93.000 59406.0 102 97.100 54455.5 94 98.700 19802.0 34 103.100 44554.5 77 115.100 336634.0 581 132.100 44554.5 77 141.800 14851.5 26 150.700 34653.5 60 205.600 39604.0 68 207.000 54455.5 94 207.500 163366.5 282 //