MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011499
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011499
RECORD_TITLE: BENZYL 2-METHYLBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: BENZYL 2-METHYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H14O2
CH$EXACT_MASS: 226.09938
CH$SMILES: Cc(c2)c(ccc2)C(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C15H14O2/c1-12-7-5-6-10-14(12)15(16)17-11-13-8-3-2-4-9-13/h2-10H,11H2,1H3
CH$LINK: INCHIKEY
IRNSYGIUGHROTJ-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-DX-300
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: splash10-00kf-9430000000-daee0022520caecec5b5
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
27 2.01 20
28 4.48 45
29 1.18 12
38 1.16 12
39 10.65 107
41 3.19 32
45 3.11 31
50 3.27 33
51 9.66 97
52 2.37 24
53 1.33 13
62 1.45 15
63 7.64 76
64 2.31 23
65 33.29 333
66 2.11 21
74 1.15 12
75 1 10
76 1.35 14
77 15.85 159
78 2.93 29
79 8.34 83
89 11.06 111
90 13.6 136
91 99.99 999
92 15.26 153
105 9.16 92
107 4.83 48
108 2.05 21
118 11.14 111
119 62.57 626
120 5.95 60
122 6.33 63
135 10.08 101
136 7.36 74
148 1.51 15
165 1.15 12
167 2.33 23
181 3 30
208 49.42 494
209 8.29 83
211 1.6 16
226 26.3 263
227 4.4 44
//