MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005420
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005420
RECORD_TITLE: O-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$NAME: O-CRESOL
CH$NAME: 2-METHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8O
CH$EXACT_MASS: 108.05751
CH$SMILES: Cc(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
CH$LINK: INCHIKEY
QWVGKYWNOKOFNN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8021808
AC$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-7900000000-c8eb63e9fe9da99fda0f
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
26 1.41 14
27 6.16 62
29 1.52 15
31 4.55 46
38 2.63 26
39 9.7 97
40 1.72 17
45 2.83 28
50 4.04 40
51 7.98 80
52 4.04 40
53 7.07 71
53.5 1.82 18
54 3.84 38
55 1.72 17
63 3.54 35
65 2.22 22
66 1.41 14
77 17.98 180
78 4.34 43
79 21.21 212
80 7.88 79
89 8.48 85
90 19.49 195
91 5.66 57
107 67.37 674
108 99.99 999
109 8.89 89
//