MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008789
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008789
RECORD_TITLE: MESITYLALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA
CH$NAME: MESITYLALDEHYDE
CH$NAME: 2,4,6-TRIMETHYLBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O
CH$EXACT_MASS: 148.08882
CH$SMILES: O=Cc(c(C)1)c(C)cc(C)c1
CH$IUPAC: InChI=1S/C10H12O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-6H,1-3H3
CH$LINK: CAS
487-68-3
CH$LINK: INCHIKEY
HIKRJHFHGKZKRI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5052125
AC$INSTRUMENT: HP 5970
AC$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$SPLASH: splash10-0002-5900000000-65fb57ab90261d73ba23
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
38 3.27 33
39 18.31 183
40 3.3 33
41 12.04 120
50 5.88 59
51 15.47 155
52 4.85 49
53 5.87 59
57 2.48 25
61 1.3 13
62 2.95 30
63 9.57 96
64 2.74 27
65 10.38 104
66 2.45 25
73 2.24 22
74 2.77 28
75 2.57 26
76 1.67 17
77 19.61 196
78 7.92 79
79 7.35 74
89 3.44 34
91 29.57 296
92 2.51 25
93 2.46 25
102 2.41 24
103 8.93 89
104 4.77 48
105 19.56 196
106 2.45 25
115 8.91 89
116 2.54 25
117 9.91 99
119 71.45 715
120 10.38 104
147 99.99 999
148 72.22 722
149 6.73 67
//