MassBank Record: MSBNK-Keio_Univ-KO002713
ACCESSION: MSBNK-Keio_Univ-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$LINK: PUBCHEM
SID:5608
CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$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
//
system version 2.2.8-SNAPSHOT