MassBank Record: KO002715



 2-Deoxystreptamine; 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: KO002715
RECORD_TITLE: 2-Deoxystreptamine; 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 D061

CH$NAME: 2-Deoxystreptamine CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H14N2O3 CH$EXACT_MASS: 162.10044 CH$SMILES: N[C@H](C1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](N)1 CH$IUPAC: InChI=1S/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3+,4+,5-,6- CH$LINK: CAS 2037-48-1 CH$LINK: KEGG C02627 CH$LINK: PUBCHEM SID:5608
AC$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$FOCUSED_ION: PRECURSOR_M/Z 163 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0fb9-5900000000-caa8faf210be9edc67e6 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 30.300 158416.0 20 51.000 89109.0 11 55.100 84158.5 11 56.200 24752.5 3 57.300 49505.0 6 60.400 29703.0 4 64.900 79208.0 10 67.000 44554.5 6 68.100 183168.5 23 71.900 19802.0 3 75.100 2019804.0 257 76.900 5653471.0 719 80.000 44554.5 6 82.300 69307.0 9 89.900 44554.5 6 91.000 1653467.0 210 95.200 237624.0 30 100.400 59406.0 8 101.200 7856443.5 999 102.000 1301981.5 166 105.300 29703.0 4 111.100 19802.0 3 117.000 79208.0 10 117.500 44554.5 6 119.100 554456.0 71 127.100 202970.5 26 128.100 6376244.0 811 129.200 54455.5 7 146.000 138614.0 18 //