MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007062
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007062
RECORD_TITLE: ANISYL FORMATE; 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$NAME: ANISYL FORMATE
CH$NAME: P-METHOXYBENZYL FORMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O3
CH$EXACT_MASS: 166.06299
CH$SMILES: O=COCc(c1)ccc(OC)c1
CH$IUPAC: InChI=1S/C9H10O3/c1-11-9-4-2-8(3-5-9)6-12-7-10/h2-5,7H,6H2,1H3
CH$LINK: CAS
122-91-8
CH$LINK: INCHIKEY
XPDORSROGAZEGY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7047649
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$SPLASH: splash10-00di-5900000000-f68b828805d0c2f3d9f5
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
15 1.3 13
27 1.22 12
29 8.39 84
31 1.08 11
38 1.47 15
39 6.16 62
41 1.86 19
50 4.27 43
51 9.22 92
52 5.16 52
53 1.67 17
62 1.53 15
63 5.44 54
64 2.98 30
65 4.13 41
66 1.91 19
76 1.08 11
77 15.94 159
78 12.46 125
79 1.88 19
89 4.46 45
90 3.11 31
91 9.38 94
92 4 40
94 2.41 24
105 2.33 23
106 1.43 14
107 1.38 14
109 1.72 17
119 1.38 14
120 15.65 157
121 99.99 999
122 8.38 84
135 1.88 19
137 1.08 11
166 30.7 307
167 3 30
//
system version 2.2.6-SNAPSHOT