malic_acid bmse000046 C4H6O5 LINE POINT HZ PPM INTENSITY REL_INT LABEL 1 8886 2140.81 4.283 20552996 45.757 2 2 8893 2138.36 4.278 22564772 50.236 3 3 8911 2130.95 4.263 22440890 49.960 4 4 8919 2127.82 4.257 22461258 50.006 5 5 10935 1328.91 2.659 36598148 81.479 6 6 10942 1325.97 2.653 38217744 85.085 7 7 10974 1313.25 2.627 43851264 97.627 8 8 10981 1310.70 2.622 45621148 101.567 9 9 11313 1179.09 2.359 40420892 89.990 10 10 11339 1168.77 2.338 40080376 89.231 11 11 11352 1163.56 2.328 34144340 76.016 12 12 11378 1153.11 2.307 31544882 70.229 13