MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009203
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009203
RECORD_TITLE: DODECANOIC 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$NAME: DODECANOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H24O2
CH$EXACT_MASS: 200.17763
CH$SMILES: CCCCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
CH$LINK: INCHIKEY
POULHZVOKOAJMA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5021590
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$SPLASH: splash10-06xx-9100000000-1ef5cd411f38c53a0a92
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
15 1.95 20
27 18.46 185
29 37.95 380
31 2.05 21
39 12.53 125
40 3.12 31
41 68.98 690
42 12.49 125
43 66.48 665
44 2.23 22
45 27 270
53 5.02 50
54 3.6 36
55 50.67 507
56 10.58 106
57 48.65 487
58 2.08 21
59 4.41 44
60 99.99 999
61 14.53 145
65 1.16 12
67 4.06 41
68 3.3 33
69 19.83 198
70 6.07 61
71 20.77 208
72 1.7 17
73 98.2 982
74 6.65 67
77 1.48 15
79 1.74 17
81 2.75 28
82 2.55 26
83 11.35 114
84 7.2 72
85 19.46 195
86 2.24 22
87 10.66 107
88 2.71 27
89 2.45 25
91 1.16 12
96 2.44 24
97 7.19 72
98 6.28 63
99 4.53 45
101 7.84 78
102 2.52 25
103 1.75 18
110 1.46 15
111 3.73 37
112 2.51 25
115 10.71 107
116 1.82 18
117 1.28 13
129 19.32 193
130 2.33 23
138 3.34 33
140 3.42 34
141 2.17 22
143 4.14 41
157 14.77 148
158 1.98 20
171 5.03 50
200 15.77 158
201 2.29 23
//
system version 2.2.6-SNAPSHOT