ACCESSION: MSBNK-Metabolon-MT000077
RECORD_TITLE: 1-Methyladenosine; LC-ESI-IT; MS2; m/z: 282.1; [M+H]+
DATE: 2016.01.19 (Created 2009.08.07, modified 2012.10.30)
AUTHORS: Evans A M, Mitchell M, DeHaven C D, Barrett T, Milgram E, Metabolon Inc.
LICENSE: CC BY-NC-ND
COPYRIGHT: Copyright (C) 2003-2009 Metabolon, Inc.

CH$NAME: 1-Methyladenosine
CH$COMPOUND_CLASS: Natural Product; Ribonucleic acids
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: HMDB HMDB03331
CH$LINK: KEGG C02494
CH$LINK: INCHIKEY GFYLSDSUCHVORB-IOSLPCCCSA-N
CH$LINK: COMPTOX DTXSID30864632

AC$INSTRUMENT: LTQ XL, Thermo Finnigan
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_M/Z 282.1
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5

PK$SPLASH: splash10-0udi-0900000000-64ed90f88010018454d6
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  150.1 100.0 999
  151.1 3.9 39
  265.0 0.2 2
//