MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007048
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007048
RECORD_TITLE: 4-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$NAME: 4-UNDECANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22O
CH$EXACT_MASS: 170.16707
CH$SMILES: CCCCCCCC(=O)CCC
CH$IUPAC: InChI=1S/C11H22O/c1-3-5-6-7-8-10-11(12)9-4-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY
NBSLHMOSERBUOV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00162798
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$SPLASH: splash10-0a6u-9000000000-46499d5c3619d07f2974
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
15 1.15 12
26 1.04 10
27 30.97 310
28 1.36 14
29 24.51 245
39 14.28 143
40 1.4 14
41 52.7 527
42 11.26 113
43 99.99 999
44 2.46 25
53 2.17 22
54 1.1 11
55 16.45 165
56 2.37 24
57 83.98 840
58 71.51 715
59 2.74 27
67 2.66 27
69 2.02 20
70 2.07 21
71 74.14 741
72 2.76 28
82 1.36 14
83 1.41 14
86 43.77 438
87 10.54 105
99 12.45 125
109 2.98 30
127 33.92 339
128 3.12 31
170 3 30
//