MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007557
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007557
RECORD_TITLE: ALPHA-IONONE; 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$NAME: ALPHA-IONONE
CH$NAME: (R-(E))-4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-3-BUTEN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H20O
CH$EXACT_MASS: 192.15142
CH$SMILES: CC(=O)C([H])=C([H])C([H])(C(C)=1)C(C)(C)CCC([H])1
CH$IUPAC: InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+/t12-/m0/s1
CH$LINK: CAS
24190-29-2
CH$LINK: INCHIKEY
UZFLPKAIBPNNCA-GUOLPTJISA-N
AC$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: splash10-0076-6900000000-0d604eb8b56437636516
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
41 3.44 34
43 42.18 422
55 7.4 74
57 5.76 58
69 9.85 99
70 4.61 46
77 9.68 97
79 10.57 106
92 13.44 134
93 93.05 931
108 16.36 164
109 26.01 260
121 99.99 999
122 11.14 111
136 88.07 881
137 16.09 161
149 5.49 55
177 7.74 77
192 17.73 177
193 2.53 25
//