MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002879
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002879
RECORD_TITLE: ETHYL PELARGONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL PELARGONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22O2
CH$EXACT_MASS: 186.16198
CH$SMILES: CCCCCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY
BYEVBITUADOIGY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1047651
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000l-9100000000-486ab8e24881488c2e5e
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
27 11.87 119
28 3.99 40
29 32.33 323
39 5.4 54
41 24.74 247
42 9 90
43 30.4 304
45 11.12 111
55 21.65 217
56 7.53 75
57 21.72 217
60 25.47 255
61 21.11 211
67 2.11 21
69 9.22 92
70 23.59 236
71 14.12 141
73 23.43 234
74 3.36 34
81 2.79 28
83 5.05 51
84 4.52 45
87 3.24 32
88 99.99 999
89 8.16 82
97 3.93 39
101 37.77 378
102 3.48 35
115 6.82 68
129 2.88 29
141 20.26 203
143 7.87 79
157 6.43 64
186 2.78 28
//