MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001642
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001642
RECORD_TITLE: ACRIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: ACRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H9N
CH$EXACT_MASS: 179.07350
CH$SMILES: c(c3)cc(c1)c(c3)nc(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H
CH$LINK: CAS
260-94-6
CH$LINK: INCHIKEY
DZBUGLKDJFMEHC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8059766
AC$INSTRUMENT: VARIAN MAT-44
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: splash10-004i-7900000000-0fc3d679263288777328
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
32 2.93 29
38 2.04 20
39 7.62 76
43 1.03 10
44 3.19 32
50 8.53 85
51 8.4 84
52 2.42 24
61 1.59 16
62 5.34 53
63 14.7 147
64 2 20
74 5.65 57
75 15.6 156
76 18.36 184
77 4.26 43
86 1.48 15
87 2.37 24
88 3.06 31
89 36.04 360
90 6.49 65
98 1.39 14
99 1.91 19
100 1.66 17
101 1.92 19
102 1.5 15
113 1.52 15
125 2.3 23
126 3.59 36
127 2.15 22
128 1.2 12
140 1.11 11
150 4.87 49
151 11.89 119
152 9.77 98
153 4.8 48
176 1.42 14
177 7.04 70
178 24.07 241
179 99.99 999
180 14.87 149
181 1.07 11
//