MassBank Record: KO002713



 2-Deoxystreptamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002713
RECORD_TITLE: 2-Deoxystreptamine; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 163 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004j-0900000000-43c73aaab22efea3299c PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 56.300 59406.0 1 56.900 49505.0 1 57.200 69307.0 2 60.100 64356.5 1 61.700 14851.5 1 67.100 74257.5 2 67.900 574258.0 13 69.000 94059.5 2 72.200 79208.0 2 74.000 34653.5 1 74.300 19802.0 1 77.200 69307.0 2 80.200 44554.5 1 82.100 227723.0 5 84.300 772278.0 17 85.300 297030.0 7 88.600 29703.0 1 91.200 153465.5 3 91.900 118812.0 3 95.000 19802.0 1 99.800 29703.0 1 101.200 668317.5 15 102.200 346535.0 8 106.100 34653.5 1 109.000 59406.0 1 110.400 826733.5 18 114.200 193069.5 4 117.200 118812.0 3 118.400 74257.5 2 127.100 84158.5 2 128.100 44703015.0 999 130.400 64356.5 1 131.800 39604.0 1 146.000 39306970.0 878 162.900 69307.0 2 //