MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007382
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007382
RECORD_TITLE: TRANS-MENTHONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: TRANS-MENTHONE
CH$NAME: TRNS-5-METHYL-2-(1-METHYLETHYL)CYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O
CH$EXACT_MASS: 154.13577
CH$SMILES: CC(C1)CC(=O)C(C1)C(C)C
CH$IUPAC: InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
CH$LINK: CAS
89-80-5
CH$LINK: INCHIKEY
NFLGAXVYCFJBMK-BDAKNGLRSA-N
CH$LINK: COMPTOX
DTXSID3044384
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-03di-7900000000-72f9ad70ae1001e21eaf
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
55 17.59 176
56 15.5 155
57 3.56 36
58 1.12 11
67 1.85 19
68 1.99 20
69 38 380
70 20.11 201
71 2.85 29
79 1.2 12
81 2.66 27
83 15.94 159
84 11.35 114
85 1.63 16
93 2.33 23
94 1.95 20
95 10.52 105
96 1.22 12
97 18.57 186
98 7.51 75
109 1.61 16
110 5.71 57
111 20.69 207
112 99.99 999
113 7.48 75
121 4.09 41
125 5.79 58
139 38.98 390
140 3.9 39
154 28.04 280
155 3.16 32
//
system version 2.2.8-SNAPSHOT