MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009816
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009816
RECORD_TITLE: 6-CHLORO-3,7-DIMETHYL-2,7-OCTADIENAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 6-CHLORO-3,7-DIMETHYL-2,7-OCTADIENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H15ClO
CH$EXACT_MASS: 186.08114
CH$SMILES: O=CC=C(C)CCC(Cl)C(C)=C
CH$IUPAC: InChI=1S/C10H15ClO/c1-8(2)10(11)5-4-9(3)6-7-12/h6-7,10H,1,4-5H2,2-3H3/b9-6+
CH$LINK: INCHIKEY
AUSCHJGENLMKTA-RMKNXTFCSA-N
AC$INSTRUMENT: JEOL JMS-D-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: splash10-00l7-9200000000-c090b16005a4e67f031c
PK$NUM_PEAK: 81
PK$PEAK: m/z int. rel.int.
27 31.9 319
28 10.3 103
29 28.5 285
36 0.53 5
38 4.1 41
39 57.2 572
40 13.1 131
41 99.99 999
42 7.4 74
43 33.4 334
50 3.9 39
51 1.13 11
52 5.9 59
53 53.4 534
54 16.6 166
55 5.13 51
56 10.6 106
57 7.8 78
59 4.1 41
63 0.52 5
65 13 130
66 6.3 63
67 73.3 733
68 7.1 71
69 42.8 428
70 3.9 39
71 11.5 115
75 0.86 9
77 17.7 177
78 3.5 35
79 32.1 321
80 1.21 12
81 55.1 551
82 45 450
83 30.5 305
84 7.26 73
85 4.4 44
89 10.1 101
90 19.3 193
91 2.46 25
92 11 110
93 30.7 307
94 15.7 157
95 6.76 68
96 8.4 84
97 83.6 836
98 5.5 55
102 1.77 18
103 6.3 63
104 7.4 74
105 19 190
106 0.88 9
107 30.1 301
108 9.3 93
109 47.3 473
110 0.71 7
115 3.3 33
117 8.5 85
118 23.7 237
119 0.61 6
120 9.6 96
121 20.5 205
122 9.3 93
123 1.56 16
124 8.4 84
129 2.2 22
130 2.7 27
131 0.21 2
132 3.9 39
133 12.6 126
135 17.1 171
136 0.23 2
142 7.4 74
143 2.1 21
144 3.3 33
150 0.52 5
151 21.6 216
152 2.6 26
157 2 20
171 1.33 13
173 5.2 52
//
system version 2.2.6-SNAPSHOT