ACCESSION: MSBNK-Keio_Univ-KO003429
RECORD_TITLE: 1-Methyladenosine; LC-ESI-QQ; MS2; CE:30 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: 281.11240
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$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

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

PK$SPLASH: splash10-0udi-0900000000-f51a7adbe93284cc633f
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  57.200 118812.0 6
  59.000 54455.5 3
  71.100 277228.0 15
  79.500 19802.0 1
  84.900 163366.5 9
  105.100 272277.5 14
  106.400 19802.0 1
  110.400 19802.0 1
  111.000 14851.5 1
  114.000 128713.0 7
  114.400 99010.0 5
  118.800 24752.5 1
  120.400 39604.0 2
  122.300 59406.0 3
  131.100 59406.0 3
  133.100 89109.0 5
  134.700 54455.5 3
  135.600 49505.0 3
  136.400 19802.0 1
  137.900 173267.5 9
  142.900 9901.0 1
  147.000 89109.0 5
  148.300 113861.5 6
  149.000 64356.5 3
  150.200 18797048.5 999
  161.100 69307.0 4
  167.000 34653.5 2
  191.100 163366.5 9
//