MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003954
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003954
RECORD_TITLE: ETHYL STEARATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL STEARATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H40O2
CH$EXACT_MASS: 312.30283
CH$SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3
CH$LINK: INCHIKEY
MVLVMROFTAUDAG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5059406
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000i-9200000000-f09671524f3cc6ba0ec7
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
45 4.9 49
53 3.4 34
54 11.9 119
55 5.99 60
56 10 100
57 33.4 334
60 8.4 84
61 1.26 13
67 20.6 206
68 12.3 123
69 33.2 332
70 2.89 29
71 13.3 133
73 8.5 85
79 4.8 48
81 1.97 20
82 10.5 105
83 22.4 224
84 12.4 124
85 0.78 8
88 99.99 999
89 14.9 149
95 15.8 158
96 1.3 13
97 18.7 187
98 10.3 103
101 57.3 573
109 0.67 7
110 6.9 69
111 8.2 82
115 8 80
123 0.56 6
124 4.1 41
125 4.9 49
157 13 130
213 0.61 6
263 4 40
265 4.2 42
266 4.3 43
268 0.45 5
312 5.2 52
//