MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007006
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007006
RECORD_TITLE: METHYL NONANOATE; 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$NAME: METHYL NONANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
CH$LINK: INCHIKEY
IJXHLVMUNBOGRR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8061921
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$SPLASH: splash10-00di-9000000000-6b14d9620e385334bcce
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
15 3.58 36
27 8.8 88
29 11.05 111
39 6.53 65
41 21.62 216
42 5.37 54
43 21.57 216
45 1.36 14
53 1.53 15
54 1.12 11
55 16.39 164
56 3.23 32
57 7.89 79
59 11.46 115
67 1.16 12
68 1.1 11
69 6.88 69
70 1.2 12
71 3.03 30
73 1.71 17
74 99.99 999
75 8.93 89
83 2.3 23
84 2.5 25
87 44.69 447
88 3.96 40
97 1.49 15
98 1.38 14
101 3.69 37
115 1.28 13
129 7.35 74
141 8.9 89
143 5.73 57
172 1.4 14
//