ACCESSION: MSBNK-Keio_Univ-KO009121
RECORD_TITLE: 1-Methyladenosine; LC-ESI-IT; MS2; m/z: 282; [M+H]+
DATE: 2011.05.10 (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

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$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.60

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

PK$SPLASH: splash10-0udi-0900000000-e8b4ddf75d7e19b79a56
PK$ANNOTATION: m/z struct. num formula mass
  150.1 1 1 C6H8N5 150.07797
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  81.0 1011.08 1
  82.2 111.17 1
  92.1 859.75 1
  93.2 499.98 1
  94.1 2036.08 1
  96.2 1825.89 1
  106.1 1006.29 1
  108.2 641.50 1
  109.1 1889.88 1
  112.0 76.53 1
  121.0 835.23 1
  123.0 474.67 1
  126.0 169.42 1
  133.0 14104.54 6
  137.0 422.11 1
  146.9 57.45 1
  147.9 1013.90 1
  149.4 272.11 1
  150.1 2501554.08 999
  151.0 9159.90 4
  151.9 1069.49 1
  153.3 291.94 1
  155.2 1264.21 1
  163.2 78.69 1
  173.3 626.55 1
  180.1 81.84 1
  195.1 217.32 1
  205.0 335.45 1
  211.9 643.55 1
  221.0 124.53 1
  222.9 57.25 1
  229.0 260.85 1
  234.6 261.08 1
  237.1 256.93 1
  246.1 128.53 1
  264.2 1195.18 1
  265.0 1930.08 1
  282.1 155191.06 62
  283.1 246.24 1
  319.4 83.48 1
//