MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008507
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008507
RECORD_TITLE: OCTYL PHENYLACETATE; 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$NAME: OCTYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H24O2
CH$EXACT_MASS: 248.17763
CH$SMILES: CCCCCCCCOC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C16H24O2/c1-2-3-4-5-6-10-13-18-16(17)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3
CH$LINK: INCHIKEY
VGYPAVUJUMQTGE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4059542
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$SPLASH: splash10-0006-9100000000-c9aa0ac707d694f5661f
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
27 9.74 97
29 17.22 172
39 9.62 96
41 37.35 374
42 9.86 99
43 60.05 601
51 2.15 22
53 1.56 16
54 1.04 10
55 16.23 162
56 7.2 72
57 62.68 627
58 2.23 22
63 2.55 26
64 1.05 11
65 15.54 155
67 1.03 10
68 1.26 13
69 7.88 79
70 4.78 48
71 40.9 409
72 1.74 17
77 1 10
83 3.27 33
84 2.9 29
89 3.3 33
90 3.29 33
91 99.99 999
92 22.8 228
93 1.31 13
112 3.88 39
118 1 10
119 2.26 23
136 35.38 354
137 16.82 168
138 1.15 12
157 13.86 139
158 1.15 12
//