MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008136
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008136
RECORD_TITLE: (Z)-9-HEXADECENAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: (Z)-9-HEXADECENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H30O
CH$EXACT_MASS: 238.22967
CH$SMILES: CCCCCCC([H])=C([H])CCCCCCCC=O
CH$IUPAC: InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,16H,2-6,9-15H2,1H3/b8-7-
CH$LINK: INCHIKEY
QFPVVMKZTVQDTL-FPLPWBNLSA-N
CH$LINK: COMPTOX
DTXSID5041194
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$SPLASH: splash10-05mo-9000000000-3e65469d3398f8004fe6
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
41 99.99 999
42 12.27 123
43 54.78 548
44 8.24 82
45 1.95 20
51 1.46 15
53 11.01 110
54 30.3 303
55 94.95 950
56 29.1 291
57 15.24 152
58 2.23 22
59 1.07 11
65 3.16 32
66 2.7 27
67 40.73 407
68 19.49 195
69 53.28 533
70 26.99 270
71 8.55 86
72 1.02 10
77 2.34 23
79 10.88 109
80 9.22 92
81 30.37 304
82 20.74 207
83 25.79 258
84 12.5 125
85 4.3 43
86 1.01 10
91 1.76 18
93 5.97 60
94 4.58 46
95 17.29 173
96 15.12 151
97 15.43 154
98 22.73 227
99 1.68 17
107 4.68 47
108 2.88 29
109 7.69 77
110 7.17 72
111 9.58 96
112 4.64 46
121 5.41 54
122 2.1 21
123 2.95 30
124 1.62 16
125 1.69 17
135 4.44 44
136 1.24 12
137 1.38 14
138 1.84 18
149 1.46 15
220 1.7 17
238 1.05 11
//