MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008689
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008689
RECORD_TITLE: UNDECANAL; 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$NAME: UNDECANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22O
CH$EXACT_MASS: 170.16707
CH$SMILES: CCCCCCCCCCC=O
CH$IUPAC: InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3
CH$LINK: COMPTOX
DTXSID4021688
CH$LINK: INCHIKEY
KMPQYAYAQWNLME-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:8186
AC$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-9000000000-2fcad3720d90d5be38ab
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
15 1.96 20
27 44.07 441
29 57.74 577
30 1.34 13
39 24.05 241
41 98.93 989
42 23.21 232
43 99.99 999
44 43.04 430
45 13.39 134
51 1.78 18
53 7.03 70
54 14.85 149
55 64.49 645
56 38.73 387
57 74.18 742
58 5.02 50
66 5.04 50
67 24.53 245
68 35.42 354
69 31.25 313
70 22.73 227
71 28.01 280
72 6.24 62
79 2.15 22
80 1.65 17
81 21.12 211
82 48.62 486
83 19.28 193
84 15.94 159
85 13.43 134
86 2.27 23
95 17.77 178
96 18.15 182
97 14.87 149
98 6.5 65
99 2.57 26
109 7.32 73
110 8.16 82
111 1.53 15
123 3.28 33
124 7.78 78
126 14.82 148
127 1.23 12
142 2.93 29
//