MassBank Record: MSJ00067



 3-Nitrobenzyl alcohol; FAB-BE; MS; Negative; Matrix 3-Nitrobenzyl alcohol 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MSJ00067
RECORD_TITLE: 3-Nitrobenzyl alcohol; FAB-BE; MS; Negative; Matrix 3-Nitrobenzyl alcohol
DATE: 2018.02.01
AUTHORS: , Rika Miyake, Graduate School of Engineering Science, Osaka University
LICENSE: CC BY
COPYRIGHT: Rika Miyake, Graduate School of Engineering Science, Osaka University
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
COMMENT: Sample was injected by flow injection

CH$NAME: 3-Nitrobenzyl alcohol CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C7H7NO3 CH$EXACT_MASS: 153.04259 CH$SMILES: OCc(c1)cc(cc1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C7H7NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9H,5H2 CH$LINK: CHEMSPIDER 62479 CH$LINK: INCHIKEY CWNPOQFCIIFQDM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:69267
AC$INSTRUMENT: JMS-700, JEOL AC$INSTRUMENT_TYPE: FAB-BE AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION FAB AC$MASS_SPECTROMETRY: LASER Xe 6 keV AC$MASS_SPECTROMETRY: MATRIX 3-Nitrobenzyl alcohol AC$MASS_SPECTROMETRY: RESOLUTION_SETTING 2000 AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 1, 2000
PK$SPLASH: splash10-0udi-1902000000-03b49584cad033eaec5b PK$NUM_PEAK: 113 PK$PEAK: m/z int. rel.int. 16 16544 8 24 7936 4 25 36512 19 26 52736 27 41 12064 6 42 53088 27 45 9792 5 46 868320 445 48 12864 7 49 40000 20 50 10208 5 53 10816 6 61 11328 6 62 12544 6 63 17248 9 64 10272 5 65 15712 8 66 10080 5 73 31808 16 74 12192 6 75 14240 7 76 9888 5 88 11776 6 89 10336 5 90 11232 6 91 23872 12 92 64256 33 93 22848 12 97 11488 6 104 10048 5 105 34272 18 106 55008 28 107 20928 11 108 25984 13 109 10784 6 110 9984 5 111 8096 4 118 14272 7 119 9248 5 120 28672 15 121 94592 48 122 429568 220 123 80960 41 124 20768 11 134 25728 13 135 63968 33 136 156704 80 137 138880 71 138 169472 87 139 25280 13 140 27744 14 147 8256 4 148 10912 6 149 8768 4 150 110720 57 151 881120 451 152 1367264 700 153 1951456 999 154 345792 177 155 32064 16 164 33760 17 165 22592 12 166 162016 83 167 46240 24 168 457760 234 169 97280 50 170 25792 13 178 12192 6 179 60864 31 180 10272 5 181 13760 7 182 12800 7 185 9024 5 195 44800 23 196 8384 4 198 28832 15 199 831456 426 200 75808 39 201 18624 10 215 8992 5 272 8480 4 273 9792 5 274 9824 5 275 9664 5 276 13984 7 287 9952 5 288 10080 5 289 25024 13 290 39840 20 291 10528 5 292 8160 4 303 16352 8 304 142240 73 305 913376 468 306 862944 442 307 184256 94 308 31104 16 319 13632 7 320 11616 6 321 22496 12 322 17696 9 348 8608 4 352 99328 51 353 22144 11 457 19712 10 458 128416 66 459 140736 72 460 41024 21 461 14592 7 505 11328 6 611 15488 8 612 20256 10 613 11712 6 //