MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010686
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010686
RECORD_TITLE: BETA-ELEMENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: BETA-ELEMENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: C=CC(C)(C1)C([H])(C(C)=C)CC([H])(C(C)=C)C1
CH$IUPAC: InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1
CH$LINK: INCHIKEY
OPFTUNCRGUEPRZ-QLFBSQMISA-N
CH$LINK: COMPTOX
DTXSID60881211
AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0a5c-9300000000-5b0ee4d8b7869c2f1150
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
41 74 740
42 11 110
43 25 250
44 0.2 2
51 7 70
52 5 50
53 56.5 565
54 0.55 6
55 71.5 715
56 4.5 45
57 7.5 75
63 0.2 2
65 15 150
66 7.5 75
67 63.5 635
68 7.8 78
69 28 280
70 2.5 25
77 28 280
78 0.7 7
79 51.5 515
80 17.5 175
81 99.99 999
82 1.1 11
83 4.5 45
91 33 330
92 14.5 145
93 8.3 83
94 29 290
95 18.5 185
96 4 40
97 0.25 3
106 13 130
107 51.5 515
108 33 330
109 1.35 14
110 2.5 25
119 23.5 235
120 11.5 115
121 3.4 34
122 10.5 105
123 11 110
133 21 210
134 1.25 13
135 16.5 165
136 5.5 55
147 30.5 305
148 1.5 15
149 6 60
161 21 210
162 7 70
163 0.5 5
175 5 50
176 3 30
189 17.5 175
190 0.3 3
204 6.5 65
205 2 20
//