MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009521
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009521
RECORD_TITLE: ETHYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O2
CH$EXACT_MASS: 150.06808
CH$SMILES: CCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
CH$LINK: CAS
93-89-0
CH$LINK: COMPTOX
DTXSID3038696
CH$LINK: INCHIKEY
MTZQAGJQAFMTAQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:7165
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$SPLASH: splash10-0pdi-8900000000-44a1b5b320f6a221cb8a
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
14 1.8 18
25 2.15 22
26 9.21 92
27 3.83 38
28 9.59 96
30 1.84 18
38 1.17 12
39 2.13 21
43 2.05 21
45 1.47 15
50 11.28 113
51 25.91 259
52 1.88 19
65 1.08 11
74 5.14 51
75 3.01 30
76 4.19 42
77 54.31 543
78 5.82 58
91 1.23 12
105 99.99 999
106 9.3 93
122 26.1 261
123 2.27 23
135 1.01 10
149 1.38 14
150 19.58 196
151 2.25 23
//