MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001583
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001583
RECORD_TITLE: NAPHTHALENE; 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$NAME: NAPHTHALENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H8
CH$EXACT_MASS: 128.06260
CH$SMILES: c(c2)cc(c1)c(c2)ccc1
CH$IUPAC: InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
CH$LINK: CAS
91-20-3
CH$LINK: INCHIKEY
UFWIBTONFRDIAS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8020913
AC$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-4900000000-28274068093bf0319e30
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
49 2.58 26
50 12.09 121
51 18.39 184
52 2.19 22
62 2.87 29
63 8.86 89
64 17.53 175
65 9.52 95
73 2.59 26
74 7.32 73
75 7.6 76
76 6.97 70
77 7.43 74
78 4 40
86 1.69 17
87 1.41 14
98 1.65 17
99 1.06 11
100 2.27 23
101 8.67 87
102 8.03 80
125 4.12 41
126 14.74 147
127 62.97 630
128 99.99 999
129 12.74 127
//