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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)

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$LINK: PUBCHEM SID:5608
CH$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 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
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  57.300 49505.0 6
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  71.900 19802.0 3
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  80.000 44554.5 6
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  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
//

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