MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007580
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007580
RECORD_TITLE: BETA-SANTALENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: BETA-SANTALENE
CH$NAME: 2-METHYL-5-(2-METHYL-3-METHYLENEBICYCLO(2.2.1)HEPT-2-YL)-2-PENTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C)=CCCC(C)(C(=C)1)C(C2)CC(C2)1
CH$IUPAC: InChI=1S/C15H24/c1-11(2)6-5-9-15(4)12(3)13-7-8-14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14+,15+/m1/s1
CH$LINK: CAS
511-59-1
CH$LINK: INCHIKEY
PGBNIHXXFQBCPU-ILXRZTDVSA-N
CH$LINK: COMPTOX
DTXSID60883412
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9200000000-1872b610780925b7cc06
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
27 6.62 66
29 6.02 60
39 8.22 82
41 36.54 365
53 6.62 66
55 20.13 201
67 12.62 126
69 16.73 167
77 11.32 113
79 22.63 226
93 34.34 343
94 99.99 999
105 9.42 94
107 9.72 97
121 17.03 170
122 34.64 346
133 3.81 38
135 3.11 31
147 1.91 19
148 1.31 13
161 5.01 50
162 0.61 6
176 0.61 6
189 1.61 16
203 1.31 13
204 3.11 31
//
system version 2.2.8-SNAPSHOT