ACCESSION: MSBNK-Keio_Univ-KO009122
RECORD_TITLE: 1-Methyladenosine; LC-ESI-IT; MS3; m/z: 282/150; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M051
COMMENT: [MS2] KO009121

CH$NAME: 1-Methyladenosine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₁H₁₅N₅O₄
CH$EXACT_MASS: 281.11240
CH$SMILES: OCC([H])(O1)C([H])(O)C([H])(O)C([H])1n(c3)c(N=2)c(n3)C(=N)N(C)C2
CH$IUPAC: InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1
CH$LINK: CAS 15763-06-1
CH$LINK: CHEBI 16020
CH$LINK: KEGG C02494
CH$LINK: NIKKAJI J130.848C
CH$LINK: PUBCHEM SID:5506
CH$LINK: INCHIKEY GFYLSDSUCHVORB-IOSLPCCCSA-N
CH$LINK: COMPTOX DTXSID30864632

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.60/0.70

MS$FOCUSED_ION: PRECURSOR_M/Z 282/150
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-06si-1900000000-a81173c3e117179fcf34
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  94.0 9.69 272
  95.0 2.23 63
  108.2 1.54 43
  109.1 27.67 777
  110.0 14.56 409
  111.9 3.82 107
  123.1 10.12 284
  133.0 35.57 999
  134.1 2.44 69
  134.9 2.00 56
  151.0 7.12 200
  197.1 1.62 45
//