MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006983
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006983
RECORD_TITLE: NERYL ISOBUTYRATE; 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$NAME: NERYL ISOBUTYRATE
CH$NAME: 3,7-DIMETHYL-2,6-OCTADIEN-1-YL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H24O2
CH$EXACT_MASS: 224.17763
CH$SMILES: CC(C)=CCCC(C)=CCOC(=O)C(C)C
CH$IUPAC: InChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9-
CH$LINK: INCHIKEY
OGJYXQFXLSCKTP-LCYFTJDESA-N
CH$LINK: COMPTOX
DTXSID30883828
AC$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: splash10-00kf-9000000000-0700f13d233209c71240
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
27 12.44 124
28 1.06 11
29 4.49 45
39 12.42 124
40 3.13 31
41 62.23 622
42 4.63 46
43 56.25 563
44 1.99 20
51 1.09 11
52 1.26 13
53 12.05 121
54 1.53 15
55 4.98 50
57 1.23 12
65 1.97 20
66 1.34 13
67 13.91 139
68 47.64 476
69 99.99 999
70 4.74 47
71 32.55 326
77 2.53 25
79 4.23 42
80 22.66 227
81 13.62 136
82 1.61 16
84 1.47 15
85 1.04 10
89 1.01 10
91 2.49 25
92 7.83 78
93 48.52 485
95 3.19 32
105 1.6 16
107 5.06 51
108 1.67 17
121 20.11 201
122 2.04 20
123 2.14 21
136 15.8 158
137 3.1 31
154 1.93 19
155 1.14 11
//