MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002473
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002473
RECORD_TITLE: D-CAMPHOLYLMETHANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: D-CAMPHOLYLMETHANE
CH$NAME: (D)-1-ACETYL-1,2,2,3-TETRAMETHYLCYCLOPENTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H20O
CH$EXACT_MASS: 168.15142
CH$SMILES: CC(=O)C(C)(C1)C(C)(C)C(C)C1
CH$IUPAC: InChI=1S/C11H20O/c1-8-6-7-11(5,9(2)12)10(8,3)4/h8H,6-7H2,1-5H3
CH$LINK: INCHIKEY
RUPLXQJJFFMCOX-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0159-9100000000-912dfb9b12e355e76404
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
42 3.37 34
43 38.57 386
51 1.5 15
53 6.07 61
54 1.32 13
55 26.34 263
56 3.06 31
57 12.96 130
65 1.7 17
67 7.48 75
68 1.97 20
69 99.99 999
70 7.76 78
71 1 10
72 1.48 15
77 2.01 20
79 1.94 19
81 4.89 49
82 1.42 14
83 26.08 261
84 34.29 343
85 27.71 277
86 1.85 19
91 1.22 12
93 1.06 11
95 2.85 29
96 12.17 122
97 3.79 38
98 12.68 127
99 1.53 15
107 1.25 13
109 5.73 57
110 2.42 24
111 2.63 26
123 1.64 16
124 5.57 56
125 32.91 329
126 3.17 32
150 1.95 20
168 2.01 20
//