MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006606
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006606
RECORD_TITLE: PULEGONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: PULEGONE
CH$NAME: 5-METHYL-2-(1-METHYLETHYLIDENE)CYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O
CH$EXACT_MASS: 152.12012
CH$SMILES: CC(C1)CC(=O)C(C1)=C(C)C
CH$IUPAC: InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3
CH$LINK: INCHIKEY
NZGWDASTMWDZIW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3051757
AC$INSTRUMENT: HITACHI M-80B
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: splash10-0f89-9200000000-103da19d7e73140f53a7
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
15 3.35 34
26 1.36 14
27 22.89 229
29 11.4 114
38 1.92 19
39 40.33 403
40 5.23 52
41 52.62 526
42 8.44 84
43 11.54 115
50 2.06 21
51 7.33 73
52 4.46 45
53 23.94 239
54 5.67 57
55 12.65 127
56 2.52 25
63 2.32 23
65 6.81 68
66 3.64 36
67 66.79 668
68 20.06 201
69 19.72 197
70 2.03 20
77 7.23 72
78 2.11 21
79 8.13 81
80 8.39 84
81 99.99 999
82 35.21 352
83 3.69 37
91 4.5 45
92 1.04 10
93 2.47 25
94 1.8 18
95 12.81 128
96 2.72 27
97 1.59 16
105 1.21 12
107 1.66 17
108 1.47 15
109 42.2 422
110 6.76 68
119 2.16 22
123 1.92 19
124 1.49 15
137 21.39 214
138 1.77 18
152 56.47 565
153 5.75 58
//