MassBank Record: KO003430

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1-Methyladenosine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003430
RECORD_TITLE: 1-Methyladenosine; 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 M051

CH$NAME: 1-Methyladenosine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C11H15N5O4
CH$EXACT_MASS: 281.1124
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$LINK: COMPTOX DTXSID30864632
CH$LINK: INCHIKEY GFYLSDSUCHVORB-IOSLPCCCSA-N
CH$LINK: KEGG C02494
CH$LINK: NIKKAJI J130.848C
CH$LINK: PUBCHEM SID:5506

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$FOCUSED_ION: PRECURSOR_M/Z 282
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0udi-0900000000-2bcab3f498a3a7f4963c
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  57.0 113862.0 8.0
  60.9 9901.0 1.0
  69.8 14851.5 1.0
  71.2 99010.0 7.0
  72.7 64356.5 5.0
  73.3 74257.5 5.0
  79.9 39604.0 3.0
  85.0 94059.5 7.0
  85.9 44554.5 3.0
  94.9 29703.0 2.0
  95.3 39604.0 3.0
  97.1 19802.0 1.0
  105.2 168317.0 12.0
  108.1 44554.5 3.0
  109.1 242574.0 18.0
  112.5 14851.5 1.0
  114.0 79208.0 6.0
  118.1 29703.0 2.0
  119.2 44554.5 3.0
  122.3 49505.0 4.0
  130.0 54455.5 4.0
  131.7 29703.0 2.0
  133.0 178218.0 13.0
  135.3 29703.0 2.0
  137.9 103960.0 8.0
  147.0 89109.0 7.0
  148.3 69307.0 5.0
  150.3 1.35248E7 999.0
  175.9 24752.5 2.0
  191.4 94059.5 7.0
  207.6 14851.5 1.0
//