MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006134
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006134
RECORD_TITLE: METHYL DECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: METHYL DECANOATE
CH$NAME: METHYL CAPRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22O2
CH$EXACT_MASS: 186.16198
CH$SMILES: CCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY
YRHYCMZPEVDGFQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4026842
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00dr-9000000000-6e2287350d21d8862470
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
29 2.58 26
41 4.64 46
42 1.15 12
43 17.18 172
55 8.26 83
56 1.91 19
57 6.47 65
59 5.06 51
69 6.35 64
70 1.08 11
71 3.4 34
73 1.41 14
74 99.99 999
75 12.56 126
83 2.85 29
84 3.12 31
85 1.5 15
87 51.93 519
88 5.19 52
97 1.69 17
98 1.85 19
101 5.18 52
115 1.24 12
129 2.81 28
143 8.58 86
155 4.2 42
157 1.17 12
186 1.5 15
187 0.3 3
//