MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000789
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000789
RECORD_TITLE: PHENANTHRIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: PHENANTHRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H9N
CH$EXACT_MASS: 179.07350
CH$SMILES: c(c3)cc(c1)c(c3)c(c2)c(ccc2)n1
CH$IUPAC: InChI=1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H
CH$LINK: INCHIKEY
RDOWQLZANAYVLL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3074288
AC$INSTRUMENT: VARIAN MAT-44S
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-3900000000-9e822de9fe24cc4297f7
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
40 2.4 24
50 5.44 54
51 5.54 55
52 1.71 17
61 1.62 16
62 4.65 47
63 12.49 125
74 5.29 53
75 11.56 116
76 20.28 203
77 1.81 18
86 1.86 19
87 2.79 28
88 1.62 16
89 6.03 60
98 2.01 20
99 2.45 25
100 1.57 16
101 1.57 16
102 1.67 17
113 1.27 13
125 2.45 25
126 4.16 42
127 1.81 18
128 1.13 11
140 1.08 11
149 1.57 16
150 8.87 89
151 17.2 172
152 12.59 126
153 6.03 60
176 1.81 18
177 7.59 76
178 23.96 240
179 99.99 999
180 16.02 160
181 1.37 14
//
system version 2.2.8-SNAPSHOT