MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001840
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001840
RECORD_TITLE: NONYL-BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: NONYL-BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H24O2
CH$EXACT_MASS: 248.17763
CH$SMILES: CCCCCCCCCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H24O2/c1-2-3-4-5-6-7-11-14-18-16(17)15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14H2,1H3
CH$LINK: INCHIKEY
VUHMHACHBVTPMF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20202928
AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0ab9-9500000000-63c13dcf2bc7db2ee6e8
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
27 1.15 12
29 2.95 30
39 2.71 27
41 15.25 153
42 5.79 58
43 14.89 149
50 1.75 18
51 9.1 91
53 1.21 12
54 2.41 24
55 21.76 218
56 26.4 264
57 9.89 99
67 3.01 30
68 4.76 48
69 20.37 204
70 25.02 250
71 7.17 72
76 1.99 20
77 55.27 553
78 4.28 43
79 13.2 132
82 5.73 57
83 15.07 151
84 15.43 154
85 3.92 39
96 2.77 28
97 15.31 153
98 10.31 103
105 99.99 999
106 7.9 79
122 9.52 95
123 79.08 791
124 5.79 58
126 7.11 71
//