MassBank Record: MSBNK-Keio_Univ-KO003427
ACCESSION: MSBNK-Keio_Univ-KO003427
RECORD_TITLE: 1-Methyladenosine; 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 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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 282
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-0190000000-4ba89d6b5f6346f13785
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
81.700 39604.0 1
84.800 99010.0 3
95.400 19802.0 1
106.100 24752.5 1
110.300 49505.0 1
114.100 361386.5 11
122.400 341584.5 10
123.500 14851.5 1
127.200 569307.5 17
133.100 24752.5 1
136.200 188119.0 6
139.300 103960.5 3
143.300 14851.5 1
146.800 183168.5 5
147.800 410891.5 12
150.200 1856437.5 56
151.900 44554.5 1
161.000 282178.5 8
167.100 118812.0 4
170.500 14851.5 1
174.500 19802.0 1
175.000 39604.0 1
176.000 74257.5 2
182.500 29703.0 1
184.300 183168.5 5
191.200 173267.5 5
193.100 19802.0 1
195.600 29703.0 1
205.400 168317.0 5
206.300 29703.0 1
207.100 39604.0 1
209.700 19802.0 1
220.300 39604.0 1
222.200 44554.5 1
229.300 49505.0 1
247.300 34653.5 1
247.700 39604.0 1
249.900 69307.0 2
264.000 49505.0 1
265.500 950496.0 28
282.500 33321815.5 999
//