MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008401
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008401
RECORD_TITLE: MENTHENYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: MENTHENYL KETONE
CH$NAME: 1-(PARA-MENTHEN-6-YL)-1-PROPANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H22O
CH$EXACT_MASS: 194.16707
CH$SMILES: CCC(=O)C(C1)C(C)=C([H])CC(C(C)C)1
CH$IUPAC: InChI=1S/C13H22O/c1-5-13(14)12-8-11(9(2)3)7-6-10(12)4/h6,9,11-12H,5,7-8H2,1-4H3
CH$LINK: INCHIKEY
DZSVIVLGBJKQAP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8047422
AC$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: splash10-053u-9100000000-c44a159d52a6855d68f1
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
27 14.79 148
28 5.49 55
29 34.01 340
39 8.05 81
41 21.37 214
42 1.72 17
43 15.3 153
51 2.03 20
53 7.22 72
55 6.67 67
57 87.2 872
58 2.78 28
59 3.81 38
65 3.71 37
67 6.68 67
68 2.72 27
69 15.39 154
77 12.69 127
78 2.83 28
79 13.15 132
80 2.11 21
81 99.99 999
82 6.34 63
91 9.35 94
92 7.68 77
93 21.44 214
94 3.51 35
95 24.44 244
96 2.42 24
100 3.96 40
121 2.74 27
136 5.84 58
137 25.36 254
138 4.85 49
165 2.42 24
194 6.48 65
//