MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009197
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009197
RECORD_TITLE: NONANOIC 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$NAME: NONANOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O2
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
CH$LINK: INCHIKEY
FBUKVWPVBMHYJY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3021641
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$SPLASH: splash10-08ml-9000000000-f9b45b786372be8b75d6
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
14 1.19 12
27 21.56 216
28 2.48 25
29 24.31 243
30 1.48 15
31 1.56 16
39 12.15 122
40 1.74 17
41 42.02 420
42 8.78 88
43 31.52 315
44 1.27 13
45 15.73 157
51 1.26 13
53 2.92 29
54 2.14 21
55 28.92 289
56 8.46 85
57 49.22 492
58 2.74 27
59 3.47 35
60 99.99 999
61 10.87 109
67 2.11 21
68 1.76 18
69 12.78 128
70 4.93 49
71 2.18 22
73 74.92 749
74 5.45 55
81 1.94 19
83 4.72 47
84 3.96 40
85 1.14 11
87 8.8 88
88 1.01 10
89 1.08 11
96 3.43 34
97 2.57 26
98 11.75 118
99 3.71 37
101 4.81 48
102 1.29 13
115 18.45 185
116 1.96 20
129 14.14 141
130 1.17 12
158 4.18 42
//
system version 2.2.6-SNAPSHOT