MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008587
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008587
RECORD_TITLE: BENZYL METHYL ETHER; 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$NAME: BENZYL METHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O
CH$EXACT_MASS: 122.07316
CH$SMILES: COCc(c1)cccc1
CH$IUPAC: InChI=1S/C8H10O/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
CH$LINK: COMPTOX
DTXSID5060227
CH$LINK: INCHIKEY
GQKZBCPTCWJTAS-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:10869
AC$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: splash10-006x-9300000000-4fd9754dab9f2307278e
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
15 4.97 50
27 2.65 27
29 10.37 104
30 1.48 15
38 2.66 27
39 16.2 162
41 2.51 25
45 6.99 70
50 7.86 79
51 17.85 179
52 3.54 35
53 1.25 13
62 2.44 24
63 8.74 87
64 1.79 18
65 18.34 183
74 1.4 14
75 1.01 10
77 30.31 303
78 3.8 38
79 10.55 106
89 6.3 63
90 2.71 27
91 99.99 999
92 21.39 214
93 1.33 13
105 3.3 33
107 1.82 18
121 49.66 497
122 56.81 568
123 4.48 45
//
system version 2.2.6-SNAPSHOT