MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001587
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001587
RECORD_TITLE: ACENAPHTHYLENE; 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$NAME: ACENAPHTHYLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H8
CH$EXACT_MASS: 152.06260
CH$SMILES: c(c3)cc(C=1)c(c32)c(ccc2)C1
CH$IUPAC: InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
CH$LINK: CAS
208-96-8
CH$LINK: INCHIKEY
HXGDTGSAIMULJN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3023845
AC$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: splash10-0udi-3900000000-0917b523bb70decb286a
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
43 2.62 26
49 1.56 16
50 4.89 49
51 3.51 35
61 2.93 29
62 9.73 97
63 10.64 106
73 2.66 27
74 9.5 95
75 22.61 226
76 20.91 209
77 1.84 18
85 1.14 11
86 2.3 23
87 1.94 19
97 1.24 12
98 3.24 32
99 2.44 24
100 1.45 15
101 1.3 13
102 1.24 12
124 1.14 11
125 3.37 34
126 3.65 37
141 1.2 12
149 10.62 106
150 25.71 257
151 78.43 784
152 99.99 999
153 17.24 172
154 3.44 34
//