MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002593
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002593
RECORD_TITLE: FENCHANE (2,2-D2); 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$NAME: FENCHANE (2,2-D2)
CH$NAME: 1,3,3-TRIMETHYLBICYCLO(2.2.1)(2,2-2H2)HEPTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18
CH$EXACT_MASS: 138.14085
CH$SMILES: CC(C)(C21)C([2H])([2H])C(C)(CC2)C1
CH$IUPAC: InChI=1S/C10H18/c1-9(2)7-10(3)5-4-8(9)6-10/h8H,4-7H2,1-3H3/i7D2
CH$LINK: INCHIKEY
HINAOCRDJFBYGD-RJSZUWSASA-N
CH$LINK: PUBCHEM
CID:101624356
AC$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: splash10-0002-9100000000-17a28c0b9d4d2255a3b4
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
15 1.75 18
27 13.11 131
28 8.75 88
29 8.59 86
30 6.62 66
31 1.87 19
39 17.43 174
40 10.76 108
41 31.58 316
42 20.88 209
43 10.04 100
44 4.03 40
51 3.17 32
52 3.55 36
53 9.48 95
54 9.49 95
55 22.9 229
56 22.53 225
57 19.66 197
58 1.94 19
63 1.15 12
65 2.78 28
66 3.78 38
67 18.85 189
68 27.56 276
69 29.96 300
70 16.92 169
71 10.58 106
72 1.21 12
77 5.92 59
78 7.21 72
79 8.76 88
80 11.3 113
81 14.84 148
82 65.37 654
83 38.46 385
84 10.69 107
85 10.53 105
86 2.41 24
91 3.05 31
92 4.72 47
93 8.06 81
95 32.69 327
96 77.78 778
97 99.99 999
98 14.85 149
99 7.55 76
107 1.65 17
108 1.79 18
109 4.36 44
110 46.78 468
111 7.38 74
112 1.56 16
124 1.96 20
125 17.54 175
126 1.9 19
138 1.05 11
139 2.6 26
140 16.3 163
141 1.97 20
//