MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002523
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002523
RECORD_TITLE: PARA-METHOXYBENZYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: PARA-METHOXYBENZYL ACETATE
CH$NAME: ANISYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O3
CH$EXACT_MASS: 180.07864
CH$SMILES: COc(c1)ccc(COC(C)=O)c1
CH$IUPAC: InChI=1S/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3
CH$LINK: INCHIKEY
HFNGYHHRRMSKEU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1044770
AC$INSTRUMENT: HITACHI RMU-6M
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: splash10-00di-5900000000-085e2f064c20eae3deb2
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
14 1 10
15 6.45 65
27 1.55 16
28 1 10
29 1.24 12
38 1.74 17
39 6.54 65
40 1.19 12
41 1.93 19
43 25.96 260
50 3.8 38
51 8.95 90
52 5.16 52
53 1.55 16
55 1 10
62 1.21 12
63 4.92 49
64 3.7 37
65 4.51 45
66 2.39 24
76 1.41 14
77 18.71 187
78 12.11 121
79 2.27 23
89 5.82 58
90 6.61 66
91 16.93 169
92 5.78 58
94 3.8 38
105 5.63 56
106 2.65 27
107 3.44 34
109 8.19 82
119 3.65 37
120 42.12 421
121 99.99 999
122 9.46 95
135 3.58 36
136 1.05 11
137 6.97 70
138 18.52 185
139 1.74 17
180 43.13 431
181 4.94 49
//
system version 2.2.6-SNAPSHOT