MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008685
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008685
RECORD_TITLE: NONANAL; 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$NAME: NONANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O
CH$EXACT_MASS: 142.13577
CH$SMILES: CCCCCCCCC=O
CH$IUPAC: InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3
CH$LINK: INCHIKEY
GYHFUZHODSMOHU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9021639
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$SPLASH: splash10-052f-9000000000-373d544eb5629e680bc4
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
15 2.44 24
26 2.44 24
27 50.8 508
28 3.37 34
29 59.51 595
30 1.8 18
31 2.18 22
39 33.49 335
40 4.01 40
41 99.99 999
42 28.73 287
43 73.68 737
44 61.6 616
45 17.04 170
51 1.67 17
53 5.7 57
54 13.77 138
55 52.53 525
56 59.88 599
57 90.11 901
58 5.61 56
66 2.34 23
67 18.79 188
68 26.58 266
69 30.47 305
70 33.49 335
71 14.61 146
72 5.61 56
79 1.44 14
81 20.93 209
82 25.31 253
83 6.72 67
85 2.65 27
86 1.78 18
95 18.46 185
96 17.75 178
97 1.58 16
98 32.02 320
99 5.01 50
109 1.41 14
114 5.86 59
124 3.07 31
//
system version 2.2.8-SNAPSHOT