MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006605
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006605
RECORD_TITLE: PIPERITONE; 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$NAME: PIPERITONE
CH$NAME: 3-METHYL-6-ISOPROPYLCYCLOHEX-2-EN-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O
CH$EXACT_MASS: 152.12012
CH$SMILES: CC(C)C(C1)C(=O)C=C(C)C1
CH$IUPAC: InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3
CH$LINK: INCHIKEY
YSTPAHQEHQSRJD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7052604
AC$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: splash10-01qi-9300000000-f92830f958dd7b7816c0
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
15 1.59 16
27 22.81 228
28 9.96 100
29 7.91 79
38 1.85 19
39 37.52 375
40 3.21 32
41 34.65 347
42 3.69 37
43 5.88 59
50 1.54 15
51 4.12 41
52 2.78 28
53 15.24 152
54 20.22 202
55 9.82 98
56 1.01 10
63 1.37 14
65 3.35 34
66 2.01 20
67 7.3 73
68 1.49 15
69 3.72 37
77 4.51 45
78 1.31 13
79 4.26 43
81 6.27 63
82 99.99 999
83 5.61 56
91 3.32 33
94 1.45 15
95 30.39 304
96 2.21 22
107 1.2 12
108 1.16 12
109 20.39 204
110 78.88 789
111 4.88 49
123 1.07 11
124 4.3 43
137 19.08 191
138 1.55 16
152 9.52 95
153 1.23 12
//