MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009202
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009202
RECORD_TITLE: UNDECANOIC ACID; 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$NAME: UNDECANOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22O2
CH$EXACT_MASS: 186.16198
CH$SMILES: CCCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
CH$LINK: INCHIKEY
ZDPHROOEEOARMN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8021690
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$SPLASH: splash10-0706-9000000000-d7f6a00a2bcfd58539f5
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
15 1.05 11
26 1.22 12
27 33.2 332
28 4.37 44
29 46.33 463
30 1.02 10
31 2.05 21
39 20.36 204
40 2.59 26
41 76.89 769
42 16.45 165
43 69.96 700
44 1.48 15
45 12.93 129
53 3.53 35
54 3.25 33
55 48.08 481
56 11.69 117
57 35.42 354
58 1.28 13
59 3.29 33
60 99.99 999
61 15.71 157
67 3.12 31
68 2.33 23
69 20.75 208
70 6.77 68
71 28.85 289
72 1.4 14
73 90.02 900
74 7.38 74
81 1.73 17
82 2.29 23
83 10.33 103
84 7.63 76
85 16 160
86 1.01 10
87 13.35 134
88 1.44 14
96 1.1 11
97 6.6 66
98 3.84 38
101 5.74 57
111 1.06 11
115 6.58 66
124 2.15 22
126 2.91 29
127 1.25 13
129 15.32 153
130 1.23 12
143 12.16 122
157 2.03 20
186 6 60
//