MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008695
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008695
RECORD_TITLE: PERILLA ALDEHYDE; 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$NAME: PERILLA ALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O
CH$EXACT_MASS: 150.10447
CH$SMILES: O=CC(C1)=CCC(C(C)=C)C1
CH$IUPAC: InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3
CH$LINK: INCHIKEY
RUMOYJJNUMEFDD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6051855
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$SPLASH: splash10-016r-9200000000-489825eb61952c9dac22
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
26 1.43 14
27 23.08 231
29 13.82 138
38 2.71 27
39 50.24 502
40 6.99 70
41 41.28 413
42 5.18 52
43 6.06 61
50 4.63 46
51 13.68 137
52 6.75 68
53 45.46 455
54 4.51 45
55 12.56 126
63 3.72 37
65 10.38 104
66 8.89 89
67 59.89 599
68 99.99 999
69 6.88 69
77 32.91 329
78 8.02 80
79 67.17 672
80 11.26 113
81 11.98 120
82 2.38 24
91 22.48 225
92 7.54 75
93 28.34 283
94 11.55 116
95 13.48 135
103 2.53 25
104 1.35 14
105 11.26 113
106 13.31 133
107 39.72 397
108 15.45 155
109 6.51 65
115 2.16 22
117 7.41 74
119 4.05 41
121 16.19 162
122 21.72 217
123 2.06 21
132 3.62 36
135 17.19 172
145 1.02 10
150 17.92 179
151 2.34 23
//
system version 2.2.8-SNAPSHOT