MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006995
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006995
RECORD_TITLE: NONYL HEXANOATE; 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$NAME: NONYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H30O2
CH$EXACT_MASS: 242.22458
CH$SMILES: CCCCCCCCCOC(=O)CCCCC
CH$IUPAC: InChI=1S/C15H30O2/c1-3-5-7-8-9-10-12-14-17-15(16)13-11-6-4-2/h3-14H2,1-2H3
CH$LINK: INCHIKEY
UQLYLJOCUOEHOM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80341827
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$SPLASH: splash10-05tf-9100000000-96d56873cbb41ecbdf0a
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
27 16.61 166
29 29.79 298
31 1.09 11
39 9.29 93
41 55.61 556
42 20.64 206
43 99.99 999
44 2.13 21
45 1.8 18
53 2.77 28
54 4.19 42
55 46.77 468
56 39.53 395
57 27.44 274
58 1.43 14
60 9.08 91
61 13.35 134
67 3.6 36
68 9.01 90
69 29.58 296
70 36.12 361
71 42.9 429
72 1.83 18
73 9.63 96
81 1.69 17
82 10 100
83 22.15 222
84 26.11 261
85 10.97 110
87 5.15 52
89 2.11 21
96 3.07 31
97 24.99 250
98 22.49 225
99 50.08 501
100 2.59 26
101 1.21 12
115 1.04 10
116 7.5 75
117 83.95 840
118 4.18 42
126 29.93 299
127 2.83 28
171 1.45 15
//