MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007096
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007096
RECORD_TITLE: L-MENTHYL 2-METHYLBUTYRATE; 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$NAME: L-MENTHYL 2-METHYLBUTYRATE
CH$NAME: 5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL 2-METHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H28O2
CH$EXACT_MASS: 240.20893
CH$SMILES: CCC(C)C(=O)OC([H])(C1)C([H])(C(C)C)CCC([H])(C)1
CH$IUPAC: InChI=1S/C15H28O2/c1-6-12(5)15(16)17-14-9-11(4)7-8-13(14)10(2)3/h10-14H,6-9H2,1-5H3/t11-,12?,13+,14-/m0/s1
CH$LINK: INCHIKEY
FGHREPYEIHRUKM-FUEJHIMDSA-N
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$SPLASH: splash10-0a5i-9100000000-06b1de184280581c4051
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
27 10.31 103
29 22.02 220
39 7.46 75
41 41.42 414
42 2.84 28
43 18.16 182
53 3.94 39
54 3.89 39
55 31.02 310
56 5.52 55
57 99.99 999
58 3.42 34
65 1.17 12
67 11.25 113
68 3.96 40
69 21.47 215
70 1.85 19
71 3.8 38
77 1.41 14
79 2.48 25
80 2.77 28
81 33.14 331
82 13.24 132
83 48.4 484
84 3.32 33
85 29.35 294
86 1.44 14
93 1.2 12
94 4.91 49
95 51.15 512
96 13.75 138
97 9.13 91
103 2.79 28
109 3.35 34
110 2.21 22
123 15.98 160
124 1.34 13
137 2.09 21
138 48.73 487
139 11.48 115
//