MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007050
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007050
RECORD_TITLE: 6-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$NAME: 6-UNDECANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22O
CH$EXACT_MASS: 170.16707
CH$SMILES: CCCCCC(=O)CCCCC
CH$IUPAC: InChI=1S/C11H22O/c1-3-5-7-9-11(12)10-8-6-4-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY
ZPQAKYPOZRXKFA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5061295
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$SPLASH: splash10-052f-9000000000-4a5d3bb589e03dc4bf3b
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
27 23.34 233
28 1.22 12
29 32.24 322
39 12.13 121
40 1.17 12
41 29.74 297
42 10.74 107
43 99.99 999
44 2.64 26
53 2.2 22
55 13.89 139
56 2.27 23
57 3.32 33
58 50.31 503
59 13.61 136
67 1.01 10
69 1.16 12
70 1.08 11
71 54.33 543
72 9.62 96
81 1.37 14
85 4.71 47
99 47.46 475
100 2.62 26
114 5.79 58
115 1.48 15
127 4.22 42
170 2.36 24
//