MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008493
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008493
RECORD_TITLE: OCTYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: OCTYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H22O2
CH$EXACT_MASS: 234.16198
CH$SMILES: CCCCCCCCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H22O2/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3
CH$LINK: INCHIKEY
VECVSKFWRQYTAL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1059103
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-05fr-9700000000-bf993012ad3dc9dfdb74
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
27 9.66 97
29 12.16 122
39 5.5 55
41 26.79 268
42 10.51 105
43 17.2 172
50 2.91 29
51 15.15 152
52 1.11 11
53 1.72 17
54 2.41 24
55 18.06 181
56 18.53 185
57 6.8 68
67 1.67 17
68 3.27 33
69 12.66 127
70 20.95 210
71 2.27 23
76 2.65 27
77 53.61 536
78 3.95 40
79 7.88 79
82 2.65 27
83 12.62 126
84 11.4 114
97 1.21 12
105 97.86 979
106 8.12 81
112 12.3 123
122 13.85 139
123 99.99 999
124 7.6 76
//