MassBank Record: KO002287



 9-Amino-1,2,3,4-tetrahydroacridine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002287
RECORD_TITLE: 9-Amino-1,2,3,4-tetrahydroacridine; LC-ESI-QQ; MS2; CE:50 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 A123

CH$NAME: 9-Amino-1,2,3,4-tetrahydroacridine CH$NAME: Tacrine CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H14N2 CH$EXACT_MASS: 198.11570 CH$SMILES: Nc(c21)c(c3)c(ccc3)nc(CCCC2)1 CH$IUPAC: InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) CH$LINK: CAS 321-64-2 CH$LINK: KEGG C01453 CH$LINK: NIKKAJI J5.670G CH$LINK: PUBCHEM SID:4630
AC$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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 199 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-006x-0900000000-dec59115a19fdec78a9f PK$NUM_PEAK: 76 PK$PEAK: m/z int. rel.int. 38.600 29703.0 1 42.800 69307.0 1 53.600 74257.5 1 65.100 44554.5 1 65.900 49505.0 1 67.300 89109.0 2 77.100 1326734.0 24 78.100 128713.0 2 79.100 252475.5 5 80.300 202970.5 4 81.100 69307.0 1 82.900 9901.0 1 88.900 138614.0 3 90.000 94059.5 2 91.000 851486.0 16 92.100 99010.0 2 93.200 663367.0 12 95.200 118812.0 2 95.800 34653.5 1 101.200 183168.5 3 101.800 242574.5 4 103.000 2663369.0 49 104.300 747525.5 14 106.100 282178.5 5 113.400 24752.5 1 115.300 1871289.0 35 116.300 5346540.0 99 117.100 6490105.5 120 118.100 2287131.0 42 119.200 148515.0 3 127.200 3485152.0 64 128.100 3306934.0 61 129.000 1460397.5 27 130.100 6202976.5 114 131.200 920793.0 17 132.200 163366.5 3 139.100 113861.5 2 140.200 1831685.0 34 141.100 128713.0 2 142.200 3173270.5 59 143.100 7970305.0 147 144.200 54143618.5 999 145.100 806931.5 15 146.100 242574.5 4 151.300 64356.5 1 152.100 113861.5 2 153.300 292079.5 5 154.000 1534655.0 28 155.300 1004951.5 19 156.300 2504953.0 46 157.300 5891095.0 109 158.200 7222779.5 133 159.300 94059.5 2 161.100 79208.0 1 165.400 252475.5 5 166.200 638614.5 12 167.400 3287132.0 61 168.400 841585.0 16 169.200 1851487.0 34 170.300 3480201.5 64 171.200 45623808.0 842 172.300 1059407.0 20 173.300 34653.5 1 178.100 64356.5 1 179.200 94059.5 2 180.300 1792081.0 33 181.200 2980201.0 55 182.200 8698028.5 160 183.200 13430706.5 248 184.300 267327.0 5 194.400 128713.0 2 195.400 3702974.0 68 196.600 549505.5 10 197.300 11653477.0 215 198.500 500000.5 9 199.400 15217837.0 281 //