MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008400
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008400
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: splash10-0563-9100000000-55c645a3c83772fbc25a
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
17 1.09 11
27 14.21 142
28 2.06 21
29 36.12 361
39 7.97 80
41 21.44 214
42 1.41 14
43 13.73 137
51 2.37 24
53 7 70
55 6.66 67
57 75.52 755
58 2.08 21
59 2.88 29
65 4.13 41
66 1.42 14
67 6.5 65
68 2.11 21
69 14.81 148
77 12.07 121
78 2.14 21
79 12.12 121
80 1.8 18
81 99.99 999
82 6.08 61
83 1.47 15
91 9.22 92
92 6.88 69
93 23.11 231
94 3 30
95 24.01 240
96 2.12 21
105 1.47 15
107 1.3 13
109 1.81 18
121 2.13 21
122 1.26 13
123 1.94 19
134 1.15 12
136 9.49 95
137 39.36 394
138 4.9 49
165 1.81 18
194 6.52 65
195 1.07 11
//