MassBank Record: MSBNK-Keio_Univ-KO002287
ACCESSION: MSBNK-Keio_Univ-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$LINK: PUBCHEM
SID:4630
CH$LINK: INCHIKEY
YLJREFDVOIBQDA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1037272
AC$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
//