MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008495
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008495
RECORD_TITLE: BENZYL BENZOATE; 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$NAME: BENZYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H12O2
CH$EXACT_MASS: 212.08373
CH$SMILES: O=C(OCc(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
CH$LINK: COMPTOX
DTXSID8029153
CH$LINK: INCHIKEY
SESFRYSPDFLNCH-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:2345
AC$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: splash10-0a4l-9610000000-37d8d16fbb06548d4614
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
27 1.71 17
39 7.99 80
41 1.39 14
50 6.81 68
51 22.25 223
52 1.96 20
63 2.89 29
64 1 10
65 13.73 137
74 1.31 13
75 1.11 11
76 1.71 17
77 38.02 380
78 3.31 33
79 5.59 56
89 5.16 52
90 7.88 79
91 55.25 553
92 3.33 33
105 99.99 999
106 8.13 81
107 6.71 67
167 4.32 43
194 3.46 35
212 21.41 214
213 2.76 28
//