MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002596
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002596
RECORD_TITLE: FENCHONE; 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$NAME: FENCHONE
CH$NAME: 1,3,3-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O
CH$EXACT_MASS: 152.12012
CH$SMILES: O=C(C(C)(C)1)C(C)(C2)CC(C2)1
CH$IUPAC: InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY
LHXDLQBQYFFVNW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9025324
AC$INSTRUMENT: HITACHI RMU-6M
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: splash10-001i-9000000000-39548fbec25228381f9b
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
27 7.42 74
28 3.15 32
29 4.49 45
39 9.66 97
41 25.52 255
42 2.83 28
43 2.83 28
51 1.76 18
52 1.07 11
53 5.61 56
54 1.23 12
55 4.11 41
65 1.82 18
66 1.07 11
67 5.66 57
68 4.38 44
69 46.28 463
70 3.04 30
72 2.19 22
77 2.24 22
79 3.47 35
80 13.51 135
81 99.99 999
82 8.54 85
91 1.33 13
95 1.17 12
109 5.13 51
137 1.71 17
152 13.35 134
153 1.82 18
//