MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005720
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005720
RECORD_TITLE: BENZYL SALICYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: BENZYL SALICYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H12O3
CH$EXACT_MASS: 228.07864
CH$SMILES: Oc(c2)c(ccc2)C(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2
CH$LINK: INCHIKEY
ZCTQGTTXIYCGGC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1024598
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-002f-9020000000-f8a29c2088c5bdab3e78
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
17 0.77 8
18 3.84 38
26 0.94 9
27 3.66 37
28 2.5 25
29 1.62 16
37 1.35 14
38 6.34 63
39 39.75 398
40 2.13 21
41 4.86 49
50 6.06 61
51 13.28 133
52 4.02 40
53 5.26 53
54 0.38 4
55 0.85 9
61 1.16 12
62 4.69 47
63 18.42 184
64 10.15 102
65 63.81 638
66 4.24 42
67 0.4 4
74 1.54 15
75 1.65 17
76 1.83 18
77 10.63 106
78 2.54 25
79 6.25 63
80 0.67 7
81 3.42 34
89 8.65 87
90 4.93 49
91 99.99 999
92 44.97 450
93 8.03 80
94 1.45 15
105 1.88 19
106 0.31 3
107 3.69 37
108 1.89 19
109 1.1 11
120 6.35 64
121 14.94 149
122 1.18 12
181 1.03 10
182 0.23 2
210 0.78 8
211 0.54 5
228 99.99 999
229 16.48 165
230 1.88 19
//
system version 2.2.6-SNAPSHOT