MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009512
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009512
RECORD_TITLE: 9-ANTHRACENECARBONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: 9-ANTHRACENECARBONITRILE
CH$NAME: 9-CYANOANTHRACENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H9N
CH$EXACT_MASS: 203.07350
CH$SMILES: N#Cc(c21)c(c3)c(ccc3)cc(cccc2)1
CH$IUPAC: InChI=1S/C15H9N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H
CH$LINK: CAS
1210-12-4
CH$LINK: INCHIKEY
KEQZHLAEKAVZLY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3049209
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0udi-3390000000-0d0fefbbfcd75a9fba27
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
39 2.17 22
50 2.73 27
51 2.32 23
61 1.05 11
62 2.58 26
63 3.7 37
74 4.54 45
75 5.27 53
76 1.83 18
86 2.6 26
87 5.29 53
88 6.77 68
98 2.88 29
99 2.6 26
100 1.55 16
101 4.71 47
102 1.27 13
110 1.16 12
111 1.81 18
122 1.08 11
123 1.37 14
124 1.12 11
126 1.72 17
149 1.8 18
150 4.91 49
151 2.44 24
152 1.58 16
174 4.14 41
175 6.76 68
176 8.7 87
177 5.21 52
201 7.55 76
202 7.16 72
203 99.99 999
204 17.01 170
205 1.3 13
//
system version 2.2.8-SNAPSHOT