MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007049
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007049
RECORD_TITLE: 5-UNDECANONE; 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$NAME: 5-UNDECANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22O
CH$EXACT_MASS: 170.16707
CH$SMILES: CCCCCCC(=O)CCCC
CH$IUPAC: InChI=1S/C11H22O/c1-3-5-7-8-10-11(12)9-6-4-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY
WENNKWXPAWNIOO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70186744
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$SPLASH: splash10-0a4l-9100000000-699fb7c1dbc49f9c103e
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
15 1.1 11
26 1.5 15
27 28.38 284
28 6.37 64
29 52.11 521
39 15.29 153
41 56.86 569
42 10.09 101
43 86.34 863
44 2.38 24
53 2.85 29
55 15.8 158
56 3.98 40
57 72.89 729
58 99.99 999
59 11.68 117
67 1.48 15
68 3.76 38
69 3.07 31
70 1.78 18
71 18.93 189
72 5.43 54
81 1.06 11
83 1.04 10
84 1.06 11
85 66.51 665
86 4.91 49
95 2.4 24
100 10.73 107
101 3.03 30
113 41.71 417
114 2.84 28
128 3.49 35
141 2.07 21
170 2.56 26
//