MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006006
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006006
RECORD_TITLE: CARANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: CARANE
CH$NAME: 3,7,7-TRIMETHYLBICYCLO(4.1.0)HEPTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18
CH$EXACT_MASS: 138.14085
CH$SMILES: CC(C2)CC(C(C2)1)C(C)(C)1
CH$IUPAC: InChI=1S/C10H18/c1-7-4-5-8-9(6-7)10(8,2)3/h7-9H,4-6H2,1-3H3
CH$LINK: INCHIKEY
BWRHOYDPVJPXMF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10858852
AC$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: splash10-00l2-9100000000-c31fe137b5b7dd5e9786
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
27 8.74 87
28 1.36 14
29 7.55 76
39 13.38 134
40 2.69 27
41 33.17 332
42 2.84 28
43 6.21 62
51 1.91 19
52 1.27 13
53 9.3 93
54 4.36 44
55 27.74 277
56 3.61 36
57 3.88 39
65 2.98 30
66 1.73 17
67 51.06 511
68 11.39 114
69 16.61 166
70 2.14 21
77 4.49 45
79 9.83 98
80 4.84 48
81 73.21 732
82 27.81 278
83 5.87 59
91 3 30
93 3.93 39
94 8.81 88
95 99.99 999
96 17.51 175
97 1.44 14
109 7.8 78
110 1.62 16
123 25.22 252
124 2.23 22
138 25.26 253
139 2.53 25
//