MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007540
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007540
RECORD_TITLE: ALPHA-CEDRENE; 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$NAME: ALPHA-CEDRENE
CH$NAME: 2,6,6,8-TETRAMETHYLTRICYCLO(5.3.1.0(1,5))UNDEC-8-ENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(=C3)C(C1)C(C)(C)C(C2)C(C3)(C(C)C2)1
CH$IUPAC: InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3
CH$LINK: CAS
469-61-4
CH$LINK: INCHIKEY
IRAQOCYXUMOFCW-UHFFFAOYSA-N
AC$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: splash10-014i-3900000000-5a59b45b4c0746096058
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
69 16.52 165
70 4.81 48
79 2.51 25
81 3.16 32
92 9.99 100
93 35.8 358
105 18.29 183
109 6.14 61
119 99.99 999
120 14.91 149
133 4.06 41
136 7.06 71
147 7.98 80
148 4.27 43
161 15.51 155
162 3.52 35
189 3.01 30
204 15.09 151
205 2.57 26
//