MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002513
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002513
RECORD_TITLE: ISOBISABOLENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: ISOBISABOLENE
CH$NAME: 6-METHYL-2-(4-METHYLENECYCLOHEXYL)-1,5-HEPTADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C)=CCCC(=C)C(C1)CCC(=C)C1
CH$IUPAC: InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,15H,3-5,7-11H2,1-2H3
CH$LINK: INCHIKEY
XMGWPQCLCZIWPP-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:21724304
AC$INSTRUMENT: JEOL JMS-D-3000
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: splash10-014l-9200000000-3bc1c00936795e4c77e5
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
41 58.85 589
43 3.81 38
53 6.44 64
55 9.75 98
67 21.43 214
68 4.51 45
69 99.99 999
70 5.86 59
77 6.13 61
79 14.79 148
80 3.94 39
81 10.26 103
82 5.67 57
91 9.23 92
92 4.79 48
93 25.66 257
94 7.89 79
95 6.39 64
105 5.96 60
107 7.46 75
108 3.1 31
109 26.64 266
119 4.4 44
120 3.72 37
121 3.81 38
133 4.23 42
134 3.25 33
135 5.03 50
161 19.65 197
204 12.26 123
//