MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001584
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001584
RECORD_TITLE: AZULENE; 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$NAME: AZULENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H8
CH$EXACT_MASS: 128.06260
CH$SMILES: C(=C2)C=CC(=C1)C(=C2)C=C1
CH$IUPAC: InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H
CH$LINK: CAS
275-51-4
CH$LINK: INCHIKEY
CUFNKYGDVFVPHO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2059770
AC$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-5900000000-9c12163018de963589b1
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
43 2.36 24
49 2.96 30
50 12.93 129
51 18.92 189
52 2.76 28
61 2.6 26
62 7.04 70
63 13.66 137
64 9.33 93
73 2.26 23
74 7.49 75
75 8.04 80
76 8.63 86
77 8.01 80
78 5.35 54
86 1.66 17
87 1.78 18
98 1.74 17
99 1.1 11
100 1.71 17
101 8.45 85
102 12.75 128
103 1.34 13
125 2.64 26
126 13.63 136
127 41.56 416
128 99.99 999
129 12.1 121
//