MassBank Record: MSBNK-Keio_Univ-KO000767
ACCESSION: MSBNK-Keio_Univ-KO000767
RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQ; MS2; CE:40 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 F014
CH$NAME: 6-Furfurylaminopurine
CH$NAME: 6-Furfuryladenine
CH$NAME: Kinetin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H9N5O
CH$EXACT_MASS: 215.08071
CH$SMILES: C1=COC(=C1)CNC2=NC=NC3=C2NC=N3
CH$IUPAC: InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)
CH$LINK: CAS
525-79-1
CH$LINK: KEGG
C08272
CH$LINK: NIKKAJI
J6.656G
CH$LINK: PUBCHEM
SID:10471
CH$LINK: INCHIKEY
QANMHLXAZMSUEX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9035175
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 214
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-0900000000-5e1208b8b3b63160e22d
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
42.800 9901.0 1
64.900 49505.0 7
66.000 79208.0 12
67.400 24752.5 4
78.700 217822.0 33
81.800 9901.0 1
90.200 69307.0 10
90.800 49505.0 7
92.100 465347.0 70
105.000 19802.0 3
105.800 905941.5 136
107.100 1049506.0 158
114.800 19802.0 3
116.900 673268.0 101
117.500 198020.0 30
119.100 113861.5 17
120.800 29703.0 4
127.800 14851.5 2
130.300 44554.5 7
132.000 3059409.0 460
133.100 6648521.5 999
134.000 2554458.0 384
141.900 113861.5 17
142.800 69307.0 10
143.800 158416.0 24
145.700 64356.5 10
158.300 19802.0 3
160.100 44554.5 7
169.200 74257.5 11
169.700 148515.0 22
170.500 64356.5 10
184.300 74257.5 11
196.200 49505.0 7
//
system version 2.2.6-SNAPSHOT