MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005803
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005803
RECORD_TITLE: (1R)-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: (1R)-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-ONE
CH$NAME: (+)CAMPHOR
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O
CH$EXACT_MASS: 152.12012
CH$SMILES: O=C(C1)C(C)(C2)C(C)(C)C([H])(C2)1
CH$IUPAC: InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
CH$LINK: CAS
464-49-3
CH$LINK: INCHIKEY
DSSYKIVIOFKYAU-XCBNKYQSSA-N
CH$LINK: COMPTOX
DTXSID4024721
AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-05o1-9300000000-f5c5e5805061cef08d31
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
51 3.04 30
52 1.37 14
53 7.92 79
54 1.93 19
55 27.24 272
56 1.8 18
57 1.22 12
65 2.92 29
66 1.16 12
67 19.82 198
68 15.23 152
69 38.25 383
70 2.45 25
77 4.27 43
79 5.04 50
80 15.35 154
81 72.08 721
82 12.57 126
83 29.6 296
84 2.34 23
91 3.49 35
93 11.61 116
94 1.63 16
95 99.99 999
96 9.61 96
97 5.65 57
107 1.05 11
108 47.03 470
109 26.33 263
110 16.48 165
111 1.65 17
123 1.03 10
124 1.01 10
137 4.26 43
152 35.42 354
153 3.96 40
//