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MassBank Record: MSBNK-Keio_Univ-KO003428

1-Methyladenosine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: MSBNK-Keio_Univ-KO003428
RECORD_TITLE: 1-Methyladenosine; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-0udi-0910000000-75e5e157192c62256edd
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  56.800 49505.0 2
  61.400 14851.5 1
  70.700 222772.5 10
  78.300 54455.5 3
  85.100 297030.0 14
  103.800 24752.5 1
  105.000 103960.5 5
  114.000 252475.5 12
  117.100 44554.5 2
  117.500 9901.0 1
  120.700 44554.5 2
  122.200 292079.5 14
  123.000 14851.5 1
  124.400 9901.0 1
  127.000 178218.0 8
  131.000 54455.5 3
  133.000 49505.0 2
  134.100 59406.0 3
  135.200 49505.0 2
  135.900 79208.0 4
  136.400 14851.5 1
  139.100 39604.0 2
  146.000 34653.5 2
  147.300 168317.0 8
  148.000 138614.0 6
  148.400 59406.0 3
  150.300 21514873.0 999
  151.500 14851.5 1
  157.400 9901.0 1
  161.200 153465.5 7
  163.100 29703.0 1
  167.000 84158.5 4
  176.800 29703.0 1
  180.300 9901.0 1
  184.000 128713.0 6
  191.200 118812.0 6
  194.600 24752.5 1
  201.200 9901.0 1
  204.900 24752.5 1
  206.400 34653.5 2
  207.600 14851.5 1
  236.100 54455.5 3
  237.400 19802.0 1
  247.400 44554.5 2
  249.900 24752.5 1
  263.900 24752.5 1
  282.400 3420795.5 159
//

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