MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008579
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008579
RECORD_TITLE: PARA-HYDROXYBENZYL ALCOHOL; 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$NAME: PARA-HYDROXYBENZYL ALCOHOL
CH$NAME: PARA-HYDROXYMETHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8O2
CH$EXACT_MASS: 124.05243
CH$SMILES: OCc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2
CH$LINK: INCHIKEY
BVJSUAQZOZWCKN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8073920
AC$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: splash10-05i1-9400000000-f08047b4457dc23151d9
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
26 4.81 48
27 18.22 182
29 13 130
31 8.64 86
38 14.39 144
39 57.13 571
41 25.07 251
44 4.39 44
50 20.43 204
51 39.49 395
52 20.7 207
53 15.35 154
55 11.81 118
62 4.08 41
63 15.48 155
64 2.31 23
65 29.45 295
66 13.58 136
67 16.63 166
74 1.47 15
77 93.83 938
78 52.54 525
79 16.01 160
93 4.84 48
94 3.04 30
95 94.01 940
96 5.49 55
105 20.27 203
106 41.09 411
107 53.14 531
121 7.36 74
123 62.53 625
124 99.99 999
125 6.86 69
//
system version 2.2.6-SNAPSHOT