ACCESSION: MSBNK-Keio_Univ-KO003427
RECORD_TITLE: 1-Methyladenosine; 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 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 10 V

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

PK$SPLASH: splash10-001i-0190000000-4ba89d6b5f6346f13785
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  81.700 39604.0 1
  84.800 99010.0 3
  95.400 19802.0 1
  106.100 24752.5 1
  110.300 49505.0 1
  114.100 361386.5 11
  122.400 341584.5 10
  123.500 14851.5 1
  127.200 569307.5 17
  133.100 24752.5 1
  136.200 188119.0 6
  139.300 103960.5 3
  143.300 14851.5 1
  146.800 183168.5 5
  147.800 410891.5 12
  150.200 1856437.5 56
  151.900 44554.5 1
  161.000 282178.5 8
  167.100 118812.0 4
  170.500 14851.5 1
  174.500 19802.0 1
  175.000 39604.0 1
  176.000 74257.5 2
  182.500 29703.0 1
  184.300 183168.5 5
  191.200 173267.5 5
  193.100 19802.0 1
  195.600 29703.0 1
  205.400 168317.0 5
  206.300 29703.0 1
  207.100 39604.0 1
  209.700 19802.0 1
  220.300 39604.0 1
  222.200 44554.5 1
  229.300 49505.0 1
  247.300 34653.5 1
  247.700 39604.0 1
  249.900 69307.0 2
  264.000 49505.0 1
  265.500 950496.0 28
  282.500 33321815.5 999
//