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MassBank Record: KO001442

6-Methylaminopurine; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

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

ACCESSION: KO001442
RECORD_TITLE: 6-Methylaminopurine; 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 M072

CH$NAME: 6-Methylaminopurine
CH$NAME: N6-Methyladenine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H7N5
CH$EXACT_MASS: 149.07015
CH$SMILES: CNC1=NC=NC2=C1NC=N2
CH$IUPAC: InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)
CH$LINK: CAS 443-72-1
CH$LINK: KEGG C08434
CH$LINK: NIKKAJI J128.125I
CH$LINK: PUBCHEM SID:10629
CH$LINK: INCHIKEY CKOMXBHMKXXTNW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1020857

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 148
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0002-0900000000-ebccac10312d914083da
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  91.500 14851.5 1
  114.900 99010.0 1
  131.900 59406.0 1
  133.200 757426.5 8
  145.600 44554.5 1
  147.200 108911.0 1
  148.100 89445634.0 999
//

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