MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005421
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005421
RECORD_TITLE: M-CRESOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: M-CRESOL
CH$NAME: 3-METHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8O
CH$EXACT_MASS: 108.05751
CH$SMILES: Cc(c1)cc(O)cc1
CH$IUPAC: InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
CH$LINK: INCHIKEY
RLSSMJSEOOYNOY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6024200
AC$INSTRUMENT: HITACHI RMU-7M
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: splash10-0a4i-5900000000-80356192ec6d2f2cce17
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
27 3.43 34
38 2.18 22
39 8.27 83
40 1.41 14
41 1.09 11
50 2.61 26
51 5.17 52
52 2.61 26
53 5.49 55
54 2.72 27
55 1.74 17
63 2.83 28
65 2.18 22
77 15.77 158
78 3.37 34
79 19.25 193
80 6.09 61
89 2.66 27
90 9.79 98
91 4.73 47
107 76.4 764
108 99.99 999
109 8.54 85
//
system version 2.2.6-SNAPSHOT