MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002374
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002374
RECORD_TITLE: TRANS-2-BENZYL-6-METHYLCYCLOHEXANONE; 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$NAME: TRANS-2-BENZYL-6-METHYLCYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H18O
CH$EXACT_MASS: 202.13577
CH$SMILES: CC(C2)C(=O)C(CC2)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C14H18O/c1-11-6-5-9-13(14(11)15)10-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3/t11-,13+/m1/s1
CH$LINK: INCHIKEY
RADVUEMOCLDJMY-YPMHNXCESA-N
AC$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: splash10-0006-9410000000-12e4fff609b10191fdcc
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
43 5.81 58
55 17.25 173
57 6.09 61
65 9.1 91
67 3.92 39
77 4.09 41
83 6.8 68
91 99.99 999
92 15.1 151
104 5.49 55
105 3.15 32
111 8.13 81
115 5.65 57
117 12.75 128
118 3.98 40
129 4.99 50
131 6.04 60
143 5.99 60
145 6.8 68
158 3.28 33
159 13.25 133
187 5.6 56
202 30.4 304
203 4.75 48
//