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MassBank Record: KO002712

2-Deoxystreptamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO002712
RECORD_TITLE: 2-Deoxystreptamine; LC-ESI-QQ; MS2; CE:20 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$LINK: PUBCHEM SID:5608
CH$LINK: INCHIKEY DTFAJAKTSMLKAT-JDCCYXBGSA-N

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$FOCUSED_ION: PRECURSOR_M/Z 163
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0002-0900000000-5265877ad0c7ffd99b99
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  41.100 118812.0 1
  55.100 79208.0 1
  60.100 44554.5 1
  66.900 118812.0 1
  67.900 242574.5 2
  71.800 29703.0 1
  72.300 19802.0 1
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  82.100 79208.0 1
  83.200 29703.0 1
  84.100 564357.0 5
  84.800 262376.5 2
  86.000 79208.0 1
  88.300 29703.0 1
  89.800 19802.0 1
  90.400 14851.5 1
  91.800 59406.0 1
  98.600 19802.0 1
  100.200 54455.5 1
  102.000 1415843.0 13
  103.700 79208.0 1
  106.300 34653.5 1
  109.100 103960.5 1
  110.000 891090.0 8
  114.500 430693.5 4
  121.800 59406.0 1
  127.000 94059.5 1
  128.100 5698025.5 50
  130.300 49505.0 1
  132.400 59406.0 1
  144.800 69307.0 1
  146.100 112955558.5 999
  163.400 2519804.5 22
//

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