MassBank Record: MSBNK-Keio_Univ-KO002038
ACCESSION: MSBNK-Keio_Univ-KO002038
RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2; CE:10 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 A007
CH$NAME: Adenosine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H13N5O4
CH$EXACT_MASS: 267.09675
CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2
CH$IUPAC: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
CH$LINK: CAS
58-61-7
CH$LINK: CHEBI
16335
CH$LINK: CHEMPDB ADN
CH$LINK: KEGG
C00212
CH$LINK: NIKKAJI
J4.501B
CH$LINK: PUBCHEM
CID:60961
CH$LINK: INCHIKEY
OIRDTQYFTABQOQ-KQYNXXCUSA-N
CH$LINK: COMPTOX
DTXSID1022558
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 268
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-0090000000-106e7131507fadd4befb
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
45.700 19802.0 1
74.000 1490100.5 11
77.300 29703.0 1
82.200 34653.5 1
106.200 39604.0 1
121.000 103960.5 1
136.000 11064367.5 81
137.800 1668318.5 12
147.600 34653.5 1
149.800 49505.0 1
152.900 49505.0 1
156.900 24752.5 1
163.400 9901.0 1
169.700 24752.5 1
176.000 39604.0 1
177.500 69307.0 1
178.900 9901.0 1
191.400 34653.5 1
192.200 59406.0 1
195.300 252475.5 2
196.800 9901.0 1
204.700 44554.5 1
207.900 806931.5 6
214.700 19802.0 1
218.100 128713.0 1
218.700 49505.0 1
233.700 69307.0 1
236.200 74257.5 1
251.400 1856437.5 14
268.300 136267463.0 999
//
system version 2.2.8-SNAPSHOT