MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008788
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008788
RECORD_TITLE: ANISALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA
CH$NAME: ANISALDEHYDE
CH$NAME: 4-METHOXYBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O2
CH$EXACT_MASS: 136.05243
CH$SMILES: O=Cc(c1)ccc(OC)c1
CH$IUPAC: InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
CH$LINK: CAS
123-11-5
CH$LINK: INCHIKEY
ZRSNZINYAWTAHE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2026997
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$SPLASH: splash10-002r-9400000000-bc00e3079ed91b21f4ba
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
37 8.03 80
38 21.15 212
39 54.14 541
40 3.01 30
41 3.84 38
43 2.88 29
49 4.43 44
50 35.41 354
51 42.49 425
52 6.29 63
53 9.94 99
61 6.41 64
62 12.14 121
63 36.59 366
64 26.03 260
65 48.02 480
66 6.13 61
73 4.02 40
74 12.99 130
75 8.68 87
76 47.52 475
77 90.69 907
78 40.35 404
79 36.89 369
89 4.12 41
90 25.82 258
91 26.68 267
92 40.46 405
93 14.7 147
94 13.5 135
104 28.17 282
105 21.62 216
107 14.82 148
108 3.51 35
118 37.81 378
119 30.33 303
120 8.28 83
121 18 180
135 51 510
136 99.99 999
137 10.22 102
149 7.84 78
//
system version 2.2.6-SNAPSHOT