MassBank Record: MSBNK-Keio_Univ-KO003841
ACCESSION: MSBNK-Keio_Univ-KO003841
RECORD_TITLE: Purine riboside; LC-ESI-QQ; MS2; CE:40 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 P081
CH$NAME: Purine riboside
CH$NAME: Purine nucleoside
CH$NAME: N-D-Ribosylpurine
CH$NAME: Nebularine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12N4O4
CH$EXACT_MASS: 252.08585
CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c2)c(n3)c(cnc3)n2
CH$IUPAC: InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/m1/s1
CH$LINK: CAS
550-33-4 9030-21-1
CH$LINK: CHEBI
18255
CH$LINK: KEGG
C01736
CH$LINK: PUBCHEM
SID:4871
CH$LINK: INCHIKEY
MRWXACSTFXYYMV-FDDDBJFASA-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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 253
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-0900000000-1ca445719eb772d826e5
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
43.200 207921.0 2
44.100 29703.0 1
44.900 143564.5 1
55.200 757426.5 7
57.300 1465348.0 14
58.900 183168.5 2
61.100 386139.0 4
67.200 153465.5 1
69.000 980199.0 9
71.000 693070.0 7
71.800 49505.0 1
72.900 782179.0 7
77.900 44554.5 1
79.200 316832.0 3
80.100 198020.0 2
80.900 24752.5 1
85.000 945545.5 9
87.000 59406.0 1
91.000 24752.5 1
91.200 14851.5 1
93.000 24752.5 1
94.200 2029705.0 19
96.800 262376.5 2
98.400 29703.0 1
102.400 54455.5 1
104.400 49505.0 1
106.000 24752.5 1
107.200 34653.5 1
114.800 69307.0 1
119.100 34653.5 1
120.300 118812.0 1
121.000 105049610.0 999
123.000 54455.5 1
178.900 9901.0 1
//