MassBank Record: KO003463

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

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

ACCESSION: KO003463
RECORD_TITLE: 1-Methyladenine; 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 M074

CH$NAME: 1-Methyladenine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C6H7N5
CH$EXACT_MASS: 149.07015
CH$SMILES: CN1C=NC2=C(C1=N)NC=N2
CH$IUPAC: InChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3,7H,1H3,(H,8,9)
CH$LINK: CAS 5142-22-3
CH$LINK: CHEBI 18083
CH$LINK: INCHIKEY SATCOUWSAZBIJO-UHFFFAOYSA-N
CH$LINK: KEGG C02216
CH$LINK: NIKKAJI J80.960H
CH$LINK: PUBCHEM CID:135398646

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$FOCUSED_ION: PRECURSOR_M/Z 150
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0udi-0900000000-8feb2aba1d8245cd5844
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  45.2 89109.0 1.0
  49.9 103960.0 1.0
  54.9 49505.0 1.0
  57.3 79208.0 1.0
  59.0 103960.0 1.0
  60.9 19802.0 1.0
  68.4 19802.0 1.0
  69.0 54455.5 1.0
  71.2 49505.0 1.0
  71.8 163366.0 1.0
  73.0 2544560.0 15.0
  80.8 44554.5 1.0
  82.2 133664.0 1.0
  83.0 123762.0 1.0
  85.1 34653.5 1.0
  86.0 29703.0 1.0
  87.2 103960.0 1.0
  90.3 212872.0 1.0
  90.5 39604.0 1.0
  91.8 69307.0 1.0
  94.2 772278.0 5.0
  95.9 94059.5 1.0
  96.9 113862.0 1.0
  101.1 430694.0 3.0
  106.1 158416.0 1.0
  108.1 366337.0 2.0
  109.3 2049510.0 12.0
  114.0 94059.5 1.0
  115.3 410892.0 2.0
  118.2 29703.0 1.0
  119.2 589110.0 3.0
  121.3 143564.0 1.0
  123.1 425743.0 3.0
  132.0 351486.0 2.0
  133.1 2584160.0 15.0
  134.0 108911.0 1.0
  135.4 480198.0 3.0
  147.9 103960.0 1.0
  148.5 84158.5 1.0
  150.2 1.69668E8 999.0
//