MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012104
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012104
RECORD_TITLE: TETRALIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, INSTITUTE FOR CHEMICAL REACTION SCIENCE TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: TETRALIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12
CH$EXACT_MASS: 132.09390
CH$SMILES: C(C2)Cc(c1)c(C2)ccc1
CH$IUPAC: InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2
CH$LINK: INCHIKEY
CXWXQJXEFPUFDZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1026118
AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0ue9-4900000000-6df963605be8ec78f34c
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
39 7.2 72
41 2 20
50 3.2 32
51 10.1 101
52 2.4 24
53 2.9 29
57 2.2 22
58 1.9 19
62 1.7 17
63 6.3 63
64 8.1 81
65 11 110
66 1.3 13
74 1.8 18
75 1.7 17
76 1.8 18
77 9.7 97
78 10 100
79 1.8 18
89 2.8 28
91 48.4 484
92 4.1 41
101 1 10
102 3.2 32
103 8.9 89
104 99.99 999
105 10.6 106
115 14.6 146
116 6.6 66
117 16.1 161
118 1.6 16
126 1.4 14
127 4.5 45
128 10 100
129 6.8 68
130 2.3 23
131 15.7 157
132 68.2 682
133 7.8 78
//