MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008786
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008786
RECORD_TITLE: ACRIDINE (1,2,3,4,5,6,7,8,9-D9); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA
CH$NAME: ACRIDINE (1,2,3,4,5,6,7,8,9-D9)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H9N
CH$EXACT_MASS: 179.07350
CH$SMILES: [2H]c(c([2H])3)c([2H])c(n1)c(c([2H])3)c([2H])c(c([2H])2)c(c([2H])c([2H])c([2H])2)1
CH$IUPAC: InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H/i1D,2D,3D,4D,5D,6D,7D,8D,9D
CH$LINK: INCHIKEY
DZBUGLKDJFMEHC-LOIXRAQWSA-N
AC$INSTRUMENT: HP 5970
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000i-2900000000-810da35b7e1a93e931e6
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
40 1.35 14
42 3.52 35
52 4.52 45
54 3.72 37
64 1.9 19
66 6.11 61
76 2.52 25
78 4.66 47
79 2.46 25
80 4.85 49
82 1.16 12
88 0.93 9
90 1.27 13
93 9.89 99
102 1.03 10
106 1.32 13
118 1.44 14
130 1.4 14
132 3.8 38
156 2.82 28
157 1.39 14
158 9.78 98
159 2.58 26
160 8.99 90
161 1.32 13
184 4.39 44
185 3.91 39
186 19.93 199
187 17.5 175
188 99.99 999
189 14.39 144
190 1.1 11
//