ACCESSION: MSBNK-Keio_Univ-KO004092
RECORD_TITLE: Thymidine; 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 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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 243
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-004i-1920000000-1a2e609b8a19ef491964
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  45.900 118812.0 5
  71.000 29703.0 1
  81.000 1099011.0 50
  83.500 24752.5 1
  86.900 9901.0 1
  90.000 2168319.0 99
  99.000 1014852.5 47
  103.000 64356.5 3
  103.400 19802.0 1
  117.100 3410894.5 157
  121.200 64356.5 3
  123.000 64356.5 3
  127.100 21772299.0 999
  132.900 49505.0 2
  135.400 54455.5 2
  145.400 54455.5 2
  152.700 24752.5 1
  154.100 64356.5 3
  156.700 34653.5 2
  165.200 69307.0 3
  179.400 79208.0 4
  194.100 49505.0 2
  196.400 14851.5 1
  197.900 29703.0 1
  201.200 34653.5 2
  202.400 14851.5 1
  205.600 84158.5 4
  207.100 341584.5 16
  208.200 99010.0 5
  211.100 158416.0 7
  225.200 257426.0 12
  226.500 970298.0 45
  243.400 5589114.5 256
//