MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010505
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010505
RECORD_TITLE: N-BENZYL-3-CYCLOHEXAENCARBONYLOXY-2,2-DIMETHYLPROPANAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TSUNODA T, FACULTY OF PHARMACEUTICAL SCIENCES, TOKUSHIMA BUNRI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: N-BENZYL-3-CYCLOHEXAENCARBONYLOXY-2,2-DIMETHYLPROPANAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H27NO3
CH$EXACT_MASS: 317.19909
CH$SMILES: c(c2)ccc(c2)CNC(=O)C(C)(C)COC(=O)C(C1)CCCC1
CH$IUPAC: InChI=1S/C19H27NO3/c1-19(2,14-23-17(21)16-11-7-4-8-12-16)18(22)20-13-15-9-5-3-6-10-15/h3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3,(H,20,22)
CH$LINK: INCHIKEY
AVZVCRIZNLQGRH-UHFFFAOYSA-N
AC$INSTRUMENT: SHIMADZU LKB-9000B
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: splash10-0a4i-9520000000-3c94c5703d819c242b08
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
28 19.8 198
29 5.2 52
32 7.8 78
41 18.2 182
55 26.7 267
56 18.1 181
65 5.8 58
73 9.7 97
83 35.9 359
91 52.4 524
106 99.99 999
107 10.9 109
129 10.9 109
206 49.7 497
207 12 120
317 2.7 27
//
system version 2.2.8-SNAPSHOT