MassBank Record: KO003466



 1-Methyladenine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003466
RECORD_TITLE: 1-Methyladenine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., 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$SMILES: CN1C=NC2=NC=NC2=C1N CH$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$LINK: KEGG C02216 CH$LINK: NIKKAJI J80.960H CH$LINK: PUBCHEM SID:5282 CH$LINK: INCHIKEY SATCOUWSAZBIJO-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 150 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0aou-9300000000-c9d017855694ff1e4dba PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 27.900 14851.5 8 32.000 69307.0 39 39.900 44554.5 25 42.200 841585.0 469 44.900 74257.5 41 51.700 24752.5 14 53.900 74257.5 41 55.200 1792081.0 999 57.000 222772.5 124 65.100 623763.0 348 65.900 287129.0 160 67.000 1143565.5 637 67.800 54455.5 30 69.000 202970.5 113 69.900 29703.0 17 77.000 113861.5 63 79.100 495050.0 276 81.100 539604.5 301 82.100 910892.0 508 91.200 39604.0 22 91.900 1539605.5 858 93.000 158416.0 88 94.300 386139.0 215 96.100 94059.5 52 106.200 450495.5 251 108.000 1301981.5 726 109.000 896040.5 500 117.800 39604.0 22 119.200 876238.5 488 120.800 24752.5 14 122.900 59406.0 33 133.100 158416.0 88 133.900 34653.5 19 135.100 168317.0 94 148.700 29703.0 17 150.200 138614.0 77 150.600 24752.5 14 //