MassBank Record: MSBNK-Keio_Univ-KO004096
ACCESSION: MSBNK-Keio_Univ-KO004096
RECORD_TITLE: Thymidine; 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 T014
CH$NAME: Thymidine
CH$NAME: Deoxythymidine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14N2O5
CH$EXACT_MASS: 242.09027
CH$SMILES: OC[C@@H](O1)[C@@H](O)C[C@@H]1N(C=2)C(=O)NC(=O)C(C)2
CH$IUPAC: InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
CH$LINK: CAS
50-89-5
CH$LINK: CHEBI
17748
CH$LINK: KEGG
C00214
CH$LINK: NIKKAJI
J4.548I
CH$LINK: PUBCHEM
SID:3514
CH$LINK: INCHIKEY
IQFYYKKMVGJFEH-XLPZGREQSA-N
CH$LINK: COMPTOX
DTXSID5023661
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 243
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03e9-9600000000-c9ba28b7314a771703b3
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
41.200 74257.5 97
43.100 128713.0 168
45.200 158416.0 206
46.000 84158.5 110
53.900 34653.5 45
56.300 94059.5 122
69.100 311881.5 406
70.900 128713.0 168
73.000 212871.5 277
80.900 94059.5 122
82.300 212871.5 277
84.100 376238.0 490
98.900 39604.0 52
109.200 252475.5 329
110.000 767327.5 999
127.100 351485.5 458
//