MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009200
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009200
RECORD_TITLE: DECANOIC 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$NAME: DECANOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
CH$LINK: INCHIKEY
GHVNFZFCNZKVNT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9021554
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$SPLASH: splash10-076u-9000000000-96a2e9e00e464db3c086
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
26 1.07 11
27 26.69 267
28 2.43 24
29 34.77 348
31 1.59 16
39 18.15 182
40 2.83 28
41 59.41 594
42 13.4 134
43 48.27 483
44 1.24 12
45 12.72 127
53 5.07 51
54 3.18 32
55 39.19 392
56 9.35 94
57 41.47 415
58 1.64 16
59 3.58 36
60 99.99 999
61 15.44 154
67 3.09 31
68 2.26 23
69 18.25 183
70 7.7 77
71 32.42 324
72 1.48 15
73 87.57 876
74 7.38 74
81 1.62 16
82 1.77 18
83 10.46 105
84 6.09 61
87 12.63 126
88 1.05 11
97 3.45 35
98 3.53 35
101 4.65 47
110 4.16 42
111 1.03 10
112 7.49 75
113 2.16 22
115 7.51 75
129 29.66 297
130 1.88 19
143 4.27 43
172 6.04 60
//
system version 2.2.6-SNAPSHOT