MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006819
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006819
RECORD_TITLE: NONYL ACETATE; 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$NAME: NONYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22O2
CH$EXACT_MASS: 186.16198
CH$SMILES: CCCCCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3
CH$LINK: INCHIKEY
GJQIMXVRFNLMTB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4047123
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$SPLASH: splash10-052f-9000000000-72fc7415ca0cec6ee06e
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
15 3.29 33
18 1.16 12
27 9.94 99
28 1.63 16
29 13.39 134
39 5.61 56
40 1.09 11
41 29.89 299
42 14.31 143
43 99.99 999
44 2.37 24
53 1.9 19
54 3.61 36
55 30.11 301
56 37.06 371
57 12.51 125
58 2.24 22
61 26.5 265
67 2.46 25
68 7.85 79
69 22.97 230
70 28.7 287
71 5.68 57
73 4.47 45
82 5.3 53
83 18.09 181
84 17.44 174
85 2.57 26
96 1.9 19
97 14.52 145
98 16.7 167
99 1.06 11
101 1.14 11
116 2.74 27
126 8.68 87
//