MassBank Record: MSBNK-Keio_Univ-KO003304
ACCESSION: MSBNK-Keio_Univ-KO003304
RECORD_TITLE: Lumazine; LC-ESI-QQ; MS2; CE:30 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 L024
CH$NAME: Lumazine
CH$NAME: 2,4-Dihydroxypteridine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H4N4O2
CH$EXACT_MASS: 164.03343
CH$SMILES: Oc(n1)nc(n2)c(ncc2)c(O)1
CH$IUPAC: InChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)
CH$LINK: CAS
487-21-8
CH$LINK: CHEBI
16489
CH$LINK: KEGG
C03212
CH$LINK: NIKKAJI
J6.019D
CH$LINK: PUBCHEM
SID:6086
CH$LINK: INCHIKEY
UYEUUXMDVNYCAM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0060068
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 165
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-9300000000-0c5d6de33209f9f3ddf7
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
55.400 19802.0 118
59.300 34653.5 206
61.600 34653.5 206
70.000 34653.5 206
73.600 14851.5 88
74.800 19802.0 118
80.200 14851.5 88
83.000 64356.5 382
83.900 19802.0 118
87.900 168317.0 999
91.100 24752.5 147
103.300 19802.0 118
105.000 39604.0 235
114.500 29703.0 176
116.100 29703.0 176
119.900 49505.0 294
//