MassBank Record: KO002204



 Anabasine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002204
RECORD_TITLE: Anabasine; LC-ESI-QQ; MS2; CE:20 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 A068

CH$NAME: Anabasine CH$NAME: (-)-Anabasine CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H14N2 CH$EXACT_MASS: 162.11570 CH$SMILES: C(C2)CNC(C2)c(c1)cncc1 CH$IUPAC: InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2/t10-/m0/s1 CH$LINK: CAS 494-52-0 CH$LINK: KEGG C11357 CH$LINK: NIKKAJI J3.284K CH$LINK: PUBCHEM SID:13532
AC$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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 163 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-1900000000-6127c0c983559750b847 PK$NUM_PEAK: 62 PK$PEAK: m/z int. rel.int. 40.600 118812.0 1 46.000 1079209.0 2 55.300 217822.0 1 56.300 74257.5 1 57.300 29703.0 1 59.200 29703.0 1 65.100 29703.0 1 67.200 460396.5 1 67.900 108911.0 1 70.000 1490100.5 3 72.200 1108912.0 2 73.800 168317.0 1 74.300 24752.5 1 79.200 158416.0 1 80.000 35054490.5 72 81.200 143564.5 1 82.200 4737628.5 10 84.200 9564366.0 20 85.300 19802.0 1 85.900 19802.0 1 87.200 19802.0 1 88.900 29703.0 1 90.900 990100.0 2 91.900 33099043.0 68 94.100 41772319.0 86 95.200 29703.0 1 96.100 247525.0 1 99.900 232673.5 1 102.100 39604.0 1 102.800 99010.0 1 103.300 24752.5 1 105.100 143564.5 1 105.900 1074258.5 2 107.000 153465.5 1 108.200 1128714.0 2 109.900 133663.5 1 113.300 59406.0 1 114.400 400990.5 1 117.200 8945553.5 18 118.000 34673302.0 71 119.300 509901.5 1 120.200 73420865.5 150 121.100 128713.0 1 127.700 79208.0 1 128.100 460396.5 1 129.200 1366338.0 3 130.000 3554459.0 7 131.200 8163374.5 17 132.000 1039605.0 2 133.000 103960.5 1 134.100 20054475.5 41 135.200 237624.0 1 136.300 99010.0 1 142.800 24752.5 1 144.200 4252479.5 9 145.200 202970.5 1 146.100 71856507.5 147 161.600 99010.0 1 162.400 99010.0 1 163.200 488025240.5 999 164.100 59406.0 1 180.900 29703.0 1 //