MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004949
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004949
RECORD_TITLE: KARAHANAENONE; 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$NAME: KARAHANAENONE
CH$NAME: 2,2,5-TRIMETHYL-4-CYCLOHEPTEN-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O
CH$EXACT_MASS: 152.12012
CH$SMILES: CC(C1)=CCC(C)(C)C(=O)C1
CH$IUPAC: InChI=1S/C10H16O/c1-8-4-5-9(11)10(2,3)7-6-8/h6H,4-5,7H2,1-3H3
CH$LINK: INCHIKEY
SKKTZNHVYFHGDC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20173543
AC$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: splash10-0fr2-9300000000-4dd178a06286135f9ed3
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
42 38.49 385
43 18.29 183
53 14.03 140
55 18.68 187
56 9.31 93
67 47.6 476
68 22.36 224
69 14.62 146
70 26.62 266
77 7.27 73
79 14.75 148
81 44.59 446
82 12.85 129
83 7.08 71
84 6.49 65
91 7.08 71
93 10.42 104
94 8.85 89
95 64.78 648
96 48.59 486
97 26.36 264
109 52.52 525
110 21.31 213
137 19.8 198
152 99.99 999
153 11.73 117
//